SCHEMBL7984282

SCHEMBL7984282

CNc1nc(Cc2ccc(C#N)cc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CLK4 Q9HAZ1 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
NTRK1 P04629 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP1 O94782 1/20 0.45
WDR48 Q8TAF3 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7979804 0.81 L3MBTL1 (0.56) MAPK1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL31649377 0.75 KDM4E (0.56) MAPK1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4859938 0.71 RAD52 (0.69) MAPK1MEN1KMT2AALDH1A1AURKA
SCHEMBL13159064 0.70 ALDH1A1 (0.53) MAPK1KMT2AALDH1A1MERTK
SCHEMBL7981179 0.70 ACHE (0.43) MAPK1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL4864862 0.69 APP (0.68) MAPK1KMT2AL3MBTL1LMNAKDM4E
SCHEMBL854445 0.68 TSHR (0.59) MEN1KMT2AL3MBTL1MAPTKDM1A
SCHEMBL13458341 0.68 KDM4E (0.59) MAPK1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30092903 0.68 ACHE (0.77) MAPK1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL21567312 0.68 ACHE (0.77) MAPK1CYP1A2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed