SCHEMBL6239036

SCHEMBL6239036

c1ccc(Oc2cccc(Nc3n[nH]c4c3CN(c3ccnc(N5CCOCC5)n3)C4)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
DGAT1 O75907 1/20 0.41
PIK3CA P42336 3/20 0.41
EP300 Q09472 2/20 0.40
CREBBP Q92793 2/20 0.40
PLK4 O00444 1/20 0.39
MTOR P42345 2/20 0.39
SMG1 Q96Q15 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
PIM1 P11309 1/20 0.38
OPRL1 P41146 1/20 0.37
GRM4 Q14833 1/20 0.37
AKT1 P31749 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL6233658 0.90 HTR2C (0.43) SRCEP300CREBBPACHEPIM1
SCHEMBL6236752 0.86 EP300 (0.39) SRCDGAT1EP300CREBBPPOLB
SCHEMBL6239038 0.85 DGAT1 (0.41) SRCDGAT1PIK3CAPLK4MTOR
SCHEMBL5448155 0.85 NPC1 (0.49) DGAT1ALDH1A1MAPTKMT2ALMNA
SCHEMBL5451389 0.75 FLT3 (0.49) SRCPLK4
SCHEMBL6233662 0.75 HTR2C (0.40) SRCACHE
SCHEMBL5448161 0.74 NPC1 (0.49) DGAT1PIK3CAMEN1ALDH1A1MAPT
SCHEMBL5449475 0.74 DGAT1 (0.46) DGAT1POLBHTT
SCHEMBL6236756 0.72 POLB (0.37) DGAT1POLBHTT
SCHEMBL2375211 0.67 SMG1 (0.51) DGAT1PLK4MTORSMG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608364-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-12-28 EP claimed
WO-2004080457-A1 BICYCLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-09-23 WO claimed