SCHEMBL9831038

SCHEMBL9831038

Cc1cccc(N2CCC(=C(C#N)C#N)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 2/20 0.41
NOTUM Q6P988 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALOX5 P09917 2/20 0.38
HSP90AA1 P07900 1/20 0.37
MGLL Q99685 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
DHFR P00374 1/20 0.36
LMNA P02545 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
SCHEMBL10407194 0.85 MAPT (0.39) MAPTALDH1A1HSP90AA1LMNAGAA
SCHEMBL10408045 0.83 ADRB1 (0.48) ADRB1MAPTALDH1A1KCNH2ALOX5
SCHEMBL9830735 0.83 ALDH1A1 (0.47) ADRB1MAPTALDH1A1L3MBTL1CA12
SCHEMBL9831691 0.83 MGLL (0.37) MAPTALDH1A1L3MBTL1ALOX5MGLL
SCHEMBL9832896 0.83 BPTF (0.39) MAPTALDH1A1RAB9ANOTUMALOX5
SCHEMBL9831161 0.82 ADRB1 (0.40) ADRB1MAPTALDH1A1RAB9AL3MBTL1
SCHEMBL10407528 0.82 MAPT (0.40) ADRB1MAPTALDH1A1RAB9AMGLL
SCHEMBL9830885 0.77 ALDH1A1 (0.43) MAPTALDH1A1NOTUMLMNAGAA
SCHEMBL9829975 0.77 TSHR (0.42) MAPTALDH1A1L3MBTL1LMNAFFAR4
SCHEMBL9831488 0.75 AR (0.32) MAPTALDH1A1LMNA

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