SCHEMBL9829975

SCHEMBL9829975

Cc1ccc(C)c(N2CCC(=C(C#N)C#N)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC18A3 Q16572 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.37
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL9830885 0.89 ALDH1A1 (0.43) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL9832952 0.82 ALDH1A1 (0.45) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL9831161 0.79 ADRB1 (0.40) MEN1KMT2AALDH1A1HTTHSD17B10
SCHEMBL10408235 0.78 ALDH1A1 (0.35) TSHRALDH1A1HTTHSD17B10MAPT
SCHEMBL9830547 0.77 ADRB1 (0.45) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9831038 0.77 ADRB1 (0.45) ALDH1A1MAPTLMNAL3MBTL1FFAR4
SCHEMBL10407194 0.76 MAPT (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL9831957 0.74 COMT (0.46) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL9830884 0.72 AKR1C3 (0.42) HTTLMNAP2RX3P2RX2
SCHEMBL10408464 0.72 HSD17B10 (0.56) TSHRMEN1KMT2AALDH1A1HTT

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