SCHEMBL2641853

SCHEMBL2641853

COc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.65
KDR P35968 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 1/20 0.54
MAPK10 P53779 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GFER P55789 1/20 0.51
SRC P12931 1/20 0.49

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
SCHEMBL19915930 0.83 FGFR1 (0.62) FGFR1KDRALDH1A1HTTSRC
SCHEMBL2646769 0.83 HTT (0.59) FGFR1KDRALDH1A1HPGDHTT
SCHEMBL1761842 0.82 GABRA1 (0.55) FGFR1KDRALDH1A1HPGDSRC
SCHEMBL2642078 0.82 FGFR1 (0.63) FGFR1KDRALDH1A1HPGDSRC
SCHEMBL2666380 0.82 HPGD (0.52) FGFR1KDRALDH1A1HPGDHTT
SCHEMBL2642011 0.82 HPGD (0.52) FGFR1KDRALDH1A1HPGDHTT
SCHEMBL24703671 0.81 FGFR1 (0.75) FGFR1KDRALDH1A1HPGDHTT
SCHEMBL1762032 0.80 GABRA1 (0.60) FGFR1KDRALDH1A1HPGDMAPT
SCHEMBL1668082 0.79 GABRA1 (0.48) FGFR1KDRALDH1A1HPGDSRC
SCHEMBL1761905 0.79 GABRA1 (0.48) FGFR1KDRALDH1A1HPGDSRC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed