SCHEMBL7822183

SCHEMBL7822183

c1nc(SCc2ccc3c(c2)CCC3)c2[nH]cnc2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 16/20 0.62
DBF4 Q9UBU7 16/20 0.62
HPGD P15428 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 1/20 0.62
ALOX15 P16050 1/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 1/20 0.60

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
SCHEMBL7834057 0.81 CDC7 (0.59) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL7822179 0.81 CDC7 (0.38) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL7834634 0.79 AKT2 (0.40) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL7830582 0.78 CDC7 (0.56) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL29805133 0.77 CDC7 (0.60) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL7832920 0.77 CDC7 (0.61) CDC7DBF4HPGDLMNAHSD17B10
SCHEMBL2120065 0.76 CDC7 (1.00) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL29851680 0.76 CDC7 (1.00) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL7832937 0.76 ALDH1A1 (0.40) CDC7DBF4HPGDALDH1A1LMNA
SCHEMBL10435363 0.75 CYP1A2 (1.00) CDC7DBF4HPGDALDH1A1LMNA

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 5 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