SCHEMBL2492949

SCHEMBL2492949

Cc1nc2nc(N)nc(N)c2nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.46
PIK3CG P48736 5/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 1/20 0.45
MTOR P42345 2/20 0.44
KDM4E B2RXH2 1/20 0.44
JAK2 O60674 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CTSG P08311 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11185932 0.83 PIK3CG (0.46) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL6824598 0.83 DHFR (0.41) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL9313963 0.83 DHFR (0.41) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL9237679 0.82 ADORA2A (0.54) DHFRPIK3CGMAPTMEN1BLM
Bromide SCHEMBL5860793 0.81 PIK3CG (0.40) DHFRPIK3CGMAPTMEN1BLM
Hydrochloric Acid SCHEMBL11291443 0.81 PIK3CG (0.40) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL3291956 0.79 ADORA2A (0.52) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL12261745 0.77 MAPT (0.31) MAPTKDM4EALDH1A1LMNA
SCHEMBL12577476 0.77 DHFR (0.43) DHFRPIK3CGMAPTMEN1BLM
SCHEMBL2492490 0.77 MAPT (0.35) PIK3CGMAPTMTORKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425346-A ANTIGLAUCOMA AGENTS SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US claimed
EP-0059524-A1 Pharmaceutical composition containing aminopteridines or aminopyrimido(4,5-d)pyrimidines Smith and Nephew Associated Companies p.l.c. (GB) 1982-09-08 EP claimed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
EP-0290819-B1 Pteridines suitable for the preparation of pharmaceutical compositions with antiamnesic activity BIORESEARCH SPA (IT) 1993-12-01 EP disclosed
US-5047405-A Alzheimer*s disease BIORESEARCH S.P.A. (IT) 1991-09-10 US disclosed
EP-0290819-A2 Pteridines suitable for the preparation of pharmaceutical compositions with antiamnesic activity BIORESEARCH S.p.A. (IT) 1988-11-17 EP disclosed
US-4425346-A ANTIGLAUCOMA AGENTS SMITH AND NEPHEW ASSOCIATED COMPANIES LIMITED (GB) 1984-01-10 US disclosed
EP-0059524-A1 Pharmaceutical composition containing aminopteridines or aminopyrimido(4,5-d)pyrimidines Smith and Nephew Associated Companies p.l.c. (GB) 1982-09-08 EP disclosed