SCHEMBL3845705

SCHEMBL3845705

Cc1nn(C(c2ccccc2)(c2ccccc2)C2C=CC=CC2)cc1-c1ccc2nc(F)c(-c3ccc(C(=O)O)cc3)n2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.34
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
USP30 Q70CQ3 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL3846970 0.72 KCNH2 (0.36) AKT1AKT2TGFBR1
SCHEMBL3850042 0.70 FLT3 (0.38)
SCHEMBL3846697 0.68 PGR (0.33)
SCHEMBL3871902 0.68 PIK3CA (0.37) TGFBR1
SCHEMBL3865937 0.68 MKNK1 (0.35) AKT1AKT2
SCHEMBL3849699 0.67 TGFBR1 (0.32) TGFBR1
SCHEMBL3846295 0.67 FLT3 (0.36)
SCHEMBL3847857 0.67 PIK3CA (0.35)
SCHEMBL3846737 0.67 MKNK1 (0.36) AKT1AKT2TGFBR1
SCHEMBL3846575 0.66 MKNK1 (0.39) TGFBR1

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