SCHEMBL9830171

SCHEMBL9830171

N#CC(C#N)=C1CCN(c2cccc(F)c2F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
DRD2 P14416 3/20 0.34
DRD3 P35462 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATM Q13315 1/20 0.33
NOTUM Q6P988 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PROKR1 Q8TCW9 2/20 0.31
HTR2A P28223 2/20 0.31
HRH1 P35367 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL9831737 0.88 MEN1 (0.42) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9831006 0.78 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2ANOTUM
SCHEMBL10408475 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9830547 0.77 ADRB1 (0.45) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9831157 0.77 NOTUM (0.33) KDM4EDRD2NOTUMHTR1AADRA1D
SCHEMBL9831395 0.77 NOTUM (0.31) NOTUM
SCHEMBL9830459 0.77 MAPT (0.36) ALDH1A1KMT2ASMN1; SMN2NOTUMHTR1A
SCHEMBL9832952 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9830242 0.77 MGLL (0.34) KDM4EALDH1A1MEN1KMT2ANOTUM
SCHEMBL10407584 0.75 MAOB (0.31)

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-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 claimed
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 claimed
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