SCHEMBL9960949

SCHEMBL9960949

CNC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(C(=O)O)c4C)cnn23)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.46
FGFR1 P11362 1/20 0.46
FYN P06241 11/20 0.45
KDR P35968 3/20 0.44
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDK5R1 Q15078 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL9949469 0.83 FGFR3 (0.59) FGFR3FGFR1FYNKDRDYRK3
SCHEMBL9949699 0.77 FGFR3 (0.57) FGFR3FGFR1FYNKDR
SCHEMBL10145480 0.77 FYN (0.49) FGFR3FGFR1FYNKDRDYRK3
SCHEMBL9949831 0.70 FGFR3 (0.55) FGFR3FGFR1FYNKDR
SCHEMBL10181279 0.70 FGFR3 (0.55) FGFR3FGFR1FYNDYRK3DYRK1A
SCHEMBL9949521 0.70 FGFR3 (0.52) FGFR3FGFR1FYNKDRDYRK3
SCHEMBL9950098 0.69 FGFR3 (0.70) FGFR3KDR
SCHEMBL10145502 0.68 FYN (0.53) FGFR3FGFR1FYNKDRDYRK3
SCHEMBL10145503 0.68 FGFR3 (0.66) FGFR3FGFR1FYNDYRK3CCNT1
SCHEMBL9949662 0.67 FGFR3 (0.61) FGFR3KDR

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 disclosed