SCHEMBL19209814

SCHEMBL19209814

CC(C)c1nn(C)cc1-c1nc(Cl)ncc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CDK2 P24941 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ RORC P51449 1/20 0.33
▸ CSNK1D P48730 2/20 0.31
▸ MAPK11 Q15759 2/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ FRK P42685 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL25238260 0.82 SMN1; SMN2 (0.41) SMN1; SMN2CDK2CSNK1DMAPK11MAPK14
SCHEMBL30166352 0.82 SMN1; SMN2 (0.41) SMN1; SMN2CDK2CSNK1DMAPK11MAPK14
SCHEMBL12413632 0.71 SMN1; SMN2 (0.42) SMN1; SMN2MAPT
SCHEMBL25694585 0.70 SMN1; SMN2 (0.43) SMN1; SMN2MAPT
SCHEMBL28630183 0.69 GSK3B (0.34) SMN1; SMN2CDK2
SCHEMBL16320539 0.69 ALDH1A1 (0.40) SMN1; SMN2CDK2CSNK1DMAPK11MAPK14
SCHEMBL17059212 0.69 CCNE2 (0.49) SMN1; SMN2CDK2MAPT
SCHEMBL20356534 0.69 CDK6 (0.37) SMN1; SMN2CDK2
SCHEMBL20740598 0.69 CDK6 (0.57) SMN1; SMN2CDK2
SCHEMBL29592215 0.69 CDK6 (0.37) SMN1; SMN2CDK2

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
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 — — WO disclosed
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