SCHEMBL14591889

SCHEMBL14591889

CC(C)C(=O)Cc1cc(Cl)c(NC(=O)c2n[nH]c3ccccc23)cc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHB3 P54753 1/20 0.56
▸ ITGB1 P05556 1/20 0.54
▸ ITGA4 P13612 1/20 0.54
▸ CSNK2A1 P68400 6/20 0.50
▸ FLT3 P36888 8/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ MAP4K1 Q92918 1/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL14626754 0.90 EPHB3 (0.58) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL2432131 0.89 EPHB3 (0.60) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL27596530 0.86 EPHB3 (0.61) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL14592698 0.86 ITGB1 (0.56) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL14591879 0.82 ITGB1 (0.54) ITGB1ITGA4SMN1; SMN2
SCHEMBL14591890 0.80 ITGB1 (0.54) ITGB1ITGA4FLT3KDM4ERAB9A
SCHEMBL14591881 0.80 KDM4E (0.49) ITGB1ITGA4KDM4E
SCHEMBL2432642 0.79 EPHB3 (0.54) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL27578649 0.78 EPHB3 (0.58) EPHB3ITGB1ITGA4CSNK2A1FLT3
SCHEMBL12327505 0.77 ITGB1 (0.48) EPHB3ITGB1ITGA4CSNK2A1FLT3

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
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