SCHEMBL9830403

SCHEMBL9830403

COc1ccc(OC)c(CN2CCC(=C(C#N)C#N)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 1/20 0.47
HSP90AB1 P08238 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
TACR1 P25103 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 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
SCHEMBL9831029 0.91 KDM4E (0.60) MAPTKDM4ETSHRALDH1A1TACR1
SCHEMBL10408283 0.85 POLB (0.55) MAPTKDM4ETSHRHSP90AB1ALDH1A1
SCHEMBL9831681 0.84 MEN1 (0.49) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL9832290 0.81 ABCB1 (0.50) KDM4ETSHRMEN1KMT2APOLB
SCHEMBL10408096 0.81 KDM4E (0.53) MAPTKDM4EALDH1A1TP53MEN1
SCHEMBL9832675 0.80 SIGMAR1 (0.54) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9832337 0.79 KMT2A (0.43) MAPTKDM4ETP53MEN1KMT2A
SCHEMBL9831214 0.79 KDM4E (0.50) MAPTKDM4ETSHRALDH1A1TACR1
SCHEMBL9831615 0.77 TACR1 (0.57) MAPTKDM4ETSHRNPC1HSP90AB1
SCHEMBL9833027 0.77 MAPT (0.50) MAPTKDM4ETSHRALDH1A1KMT2A

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 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
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