SCHEMBL9832661

SCHEMBL9832661

N#CC(C#N)=C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
ADORA1 P30542 2/20 0.47
PNMT P11086 1/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 1/20 0.43
OPRM1 P35372 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL9832990 0.85 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1
SCHEMBL9830298 0.83 ALDH1A1 (0.45) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9832290 0.81 ABCB1 (0.50) KMT2AMEN1KDM4ESIGMAR1USP2
SCHEMBL9832675 0.80 SIGMAR1 (0.54) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL9831258 0.80 CYP2C19 (0.51) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL29512666 0.79 SIGMAR1 (0.52) KMT2AMEN1KDM4ESIGMAR1ADORA1
SCHEMBL5553255 0.77 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1SIGMAR1
SCHEMBL9831681 0.76 MEN1 (0.49) KMT2AMEN1KDM4EALDH1A1SIGMAR1
SCHEMBL28817642 0.76 SIGMAR1 (0.48) KMT2AMEN1SIGMAR1ADORA1PNMT
SCHEMBL28817654 0.76 SIGMAR1 (0.48) KMT2AMEN1SIGMAR1ADORA1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
US-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed