SCHEMBL2641906

SCHEMBL2641906

Nc1cccnc1-c1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FGFR1 P11362 7/20 0.44
GABRA1 P14867 4/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
F9 P00740 1/20 0.39
F10 P00742 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
GABRA2 P47869 1/20 0.38
TNK2 Q07912 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL2641983 0.84 GABRA1 (0.55) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL2641981 0.83 FGFR1 (0.56) HPGDALDH1A1FGFR1GABRA1GABRG2
Hydrochloric Acid SCHEMBL2641992 0.82 FGFR1 (0.54) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL1762010 0.81 GABRA1 (0.52) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL1761954 0.80 GABRA1 (0.57) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL6834170 0.79 MTOR (0.46) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL1762032 0.78 GABRA1 (0.60) HPGDALDH1A1FGFR1GABRA1GABRG2
SCHEMBL31606903 0.77 ADORA2A (0.51) XDH
SCHEMBL19915930 0.77 FGFR1 (0.62) ALDH1A1FGFR1KDR
SCHEMBL2646769 0.76 HTT (0.59) HPGDALDH1A1FGFR1AURKAKDR

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 5 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 claimed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP claimed
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