SCHEMBL3852532

SCHEMBL3852532

Nc1ccc2ncn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HCAR1 Q9BXC0 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ATM Q13315 2/20 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
SCHEMBL20627632 0.90 FGFR1 (0.60) FGFR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL14748166 0.84 FGFR1 (0.61) FGFR1MAPTALDH1A1SMN1; SMN2
SCHEMBL19848656 0.83 FGFR1 (0.76) FGFR1ALDH1A1HTTHPGDMAPK1
SCHEMBL3846616 0.82 HCAR1 (0.49) FGFR1ALDH1A1HCAR1HTTHPGD
SCHEMBL19848657 0.82 FGFR1 (0.55) FGFR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL19350794 0.81 FGFR1 (0.62) FGFR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL29623644 0.81 FGFR1 (0.62) FGFR1MAPTALDH1A1SMN1; SMN2HTT
SCHEMBL15638670 0.81 HCAR1 (0.48) FGFR1ALDH1A1HCAR1HTTHPGD
SCHEMBL31144757 0.81 HCAR1 (0.48) FGFR1ALDH1A1HCAR1HTTHPGD
SCHEMBL31144722 0.77 FGFR1 (0.51) FGFR1MAPTALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed