SCHEMBL5332258

SCHEMBL5332258

NCc1ccc(Nc2cc3[nH]c(=O)c(Cc4c(Cl)cccc4Cl)cc3cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 7/20 0.48
▸ SRC P12931 7/20 0.48
▸ CCNA2 P20248 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ TTK P33981 4/20 0.39
▸ AURKA O14965 3/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ IDH1 O75874 3/20 0.39
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ WEE1 P30291 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ BPTF Q12830 1/20 0.34
▸ IL4I1 Q96RQ9 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL8128174 0.88 FGFR1 (0.47) FGFR1SRCCCNA2CDK2TTK
SCHEMBL10276720 0.72 FGFR1 (0.65) FGFR1SRCCCNA2CDK2TTK
SCHEMBL23289853 0.68 FGFR4 (0.54) FGFR1SRCCCNA2CDK2TTK
SCHEMBL14161581 0.67 SRC (0.53) FGFR1SRCWEE1
SCHEMBL4102042 0.67 SRC (0.79) FGFR1SRCWEE1
SCHEMBL24851981 0.63 IL4I1 (0.51) IDH1IL4I1
SCHEMBL30162723 0.63 IL4I1 (0.51) IDH1IL4I1
SCHEMBL21549765 0.61 IDH1 (0.47) IDH1ROCK1
SCHEMBL18947269 0.60 GRM5 (0.48) —
SCHEMBL30634476 0.59 GRIN2D (0.45) IDH1

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-2007137867-A1 METHODS FOR THE IDENTIFICATION OF ZAP-70 INTERACTING MOLECULES AND FOR THE PURIFICATION OF ZAP-70 CELLZOME AG (DE) 2007-12-06 — — WO disclosed
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