SCHEMBL3849488

SCHEMBL3849488

Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4nnc(C5CC5)s4)n3c2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.40
TGFBR1 P36897 6/20 0.34
FLT3 P36888 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 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
SCHEMBL3846674 0.84 MAPK14 (0.41) MAPK14TGFBR1
SCHEMBL3854699 0.82 MAPK14 (0.40) MAPK14TGFBR1
SCHEMBL3846013 0.81 MAPK14 (0.33) MAPK14FFAR4
SCHEMBL3845518 0.80 MAPK14 (0.43) MAPK14TGFBR1FLT3FFAR4
SCHEMBL3848109 0.79 FLT3 (0.40) MAPK14TGFBR1FLT3
SCHEMBL3845273 0.78 FLT3 (0.47) MAPK14TGFBR1FLT3
SCHEMBL3846448 0.77 FLT3 (0.44) TGFBR1FLT3
SCHEMBL3847367 0.77 PIK3CA (0.42) MAPK14TGFBR1FLT3
SCHEMBL3849253 0.77 FLT3 (0.38) MAPK14TGFBR1FLT3
SCHEMBL3846792 0.75 TGFBR1 (0.38) MAPK14TGFBR1FLT3

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