SCHEMBL3918751

SCHEMBL3918751

CSc1nccc(-c2c[nH]nc2-c2cc(C)cc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CSNK1E P49674 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL989130 0.85 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3918312 0.78 ROS1 (0.38) L3MBTL1CSNK1EKDM4EMAPK1NPSR1
SCHEMBL3917686 0.74 CCNT1 (0.44) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3912533 0.74 CCNA2 (0.44) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL13199646 0.71 CCNT1 (0.46) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1554639 0.71 MAPK14 (0.54) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL5205411 0.71 CCNT1 (0.44) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL13359305 0.71 CCNA2 (0.42) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL3916904 0.70 GRM5 (0.35) MAPK13MAPK12MAPK11MAPK14
SCHEMBL12680021 0.70 CYP1A1 (0.43) CCNT1CCNA2CDK2CDK9MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed