SCHEMBL7834633

SCHEMBL7834633

c1nc(Cc2ccc3c(c2)CCC3)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
PDE5A O76074 1/20 0.37
RXRB P28702 3/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK8 P45983 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
KDR P35968 1/20 0.34
TP53 P04637 1/20 0.33
POLA1 P09884 1/20 0.33
EGFR P00533 1/20 0.33
RXRA P19793 2/20 0.33
RXRG P48443 2/20 0.33
CETP P11597 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7835031 0.80
SCHEMBL7832917 0.80 RXRB (0.41) MPOPDE5ARXRBNPC1RAB9A
SCHEMBL8928889 0.79 JAK3 (0.42) MPOPDE5A
SCHEMBL7834634 0.79 AKT2 (0.40) MPONPC1RAB9AALDH1A1HTT
SCHEMBL7822179 0.79 CDC7 (0.38) ALDH1A1HTTLMNAHPGD
SCHEMBL7834202 0.76 MPO (0.45) MPONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6658610 0.75 HTT (0.40) MPOALDH1A1HTTLMNA
SCHEMBL5384430 0.74 LMNA (0.40) MPONPC1RAB9AHTTLMNA
SCHEMBL7834056 0.71 CDC7 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7830504 0.71 JAK2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP claimed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP claimed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO claimed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed
EP-0802914-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 1997-10-29 EP disclosed
WO-1997018212-A1 ARYL AND HETEROARYL PURINE COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1997-05-22 WO disclosed