SCHEMBL3844513

SCHEMBL3844513

O=C(O)c1ccc2ncn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.76
THRB P10828 1/20 0.60
HPGD P15428 1/20 0.52
SRC P12931 1/20 0.47
ATM Q13315 2/20 0.47
HCAR1 Q9BXC0 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL121454 0.89 FGFR1 (0.76) FGFR1THRBHPGD
Hydrochloric Acid SCHEMBL7986276 0.85 FGFR1 (0.97) FGFR1HPGDSRC
SCHEMBL12817507 0.84 FGFR1 (0.84) FGFR1THRBHPGDSRC
SCHEMBL12822195 0.83 FGFR1 (0.64) FGFR1THRBHPGDSRC
SCHEMBL12822193 0.82 FGFR1 (0.71) FGFR1THRBHPGDSRCATM
SCHEMBL12822123 0.81 FGFR1 (0.78) FGFR1THRBHPGDSRC
SCHEMBL13666321 0.81 FGFR1 (0.51) FGFR1THRBHPGDATMTP53
SCHEMBL12822329 0.80 FGFR1 (0.67) FGFR1THRBHPGDSRCATM
SCHEMBL12821909 0.79 FGFR1 (0.66) FGFR1THRBHPGD
SCHEMBL29987340 0.79 FGFR1 (0.85) FGFR1THRBHPGD

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
WO-2009119776-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed
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