SCHEMBL9960140

SCHEMBL9960140

N#CC1(C(=O)N2CCC(n3cc(-c4cnn5c(-c6cccc(NC(=O)NC(F)C(F)F)c6)cnc5c4)cn3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
FGFR3 P22607 18/20 0.47
FGFR1 P11362 1/20 0.39
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36

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
SCHEMBL9950520 0.87 KDR (0.64) KDRFGFR3
SCHEMBL9950431 0.78 KDR (0.68) KDRFGFR3
SCHEMBL9950410 0.77 KDR (0.68) KDRFGFR3
SCHEMBL9950296 0.76 KDR (0.67) KDRFGFR3
SCHEMBL9950524 0.75 KDR (0.71) KDRFGFR3
SCHEMBL9949320 0.74 KDR (0.69) KDRFGFR3
SCHEMBL9950747 0.73 KDR (0.67) KDRFGFR3
SCHEMBL9949743 0.73 FGFR3 (0.71) KDRFGFR3
SCHEMBL10177301 0.73 MAP3K7 (0.46) KDRFGFR3FGFR1MAP3K7TAB1
SCHEMBL10176578 0.73 MAP3K7 (0.46) KDRFGFR3FGFR1MAP3K7TAB1

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-2012088266-A2 SUBSTITUTED IMIDAZOPYRIDAZINES AND BENZIMIDAZOLES AS INHIBITORS OF FGFR3 INCYTE CORPORATION (US) 2012-06-28 WO claimed