SCHEMBL2432642

SCHEMBL2432642

CCC(C(=O)O)c1cc(Cl)c(NC(=O)c2n[nH]c3ccccc23)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 1/20 0.54
▸ FLT3 P36888 8/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ CSNK2A1 P68400 5/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITK Q08881 4/20 0.45
▸ MAP4K1 Q92918 1/20 0.44
▸ YTHDC1 Q96MU7 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
SCHEMBL2433943 0.83 MAPT (0.48) ITGB1ITGA4
SCHEMBL2432847 0.81 ITGB1 (0.46) FLT3ITGB1ITGA4
SCHEMBL2433516 0.80 KDM4E (0.45) —
SCHEMBL2432131 0.79 EPHB3 (0.60) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL14591889 0.79 EPHB3 (0.56) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL14626754 0.79 EPHB3 (0.58) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL27596530 0.78 EPHB3 (0.61) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL2435623 0.77 NR1I2 (0.40) —
SCHEMBL14592698 0.77 ITGB1 (0.56) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL27578649 0.77 EPHB3 (0.58) EPHB3FLT3CDK2CCNA2CCNA1

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
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