SCHEMBL3844461

SCHEMBL3844461

COC(=O)c1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4nccs4)n3c2)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL3850932 0.88 KDR (0.33) TGFBR1KDR
SCHEMBL3844458 0.86 KDR (0.37) TGFBR1KDR
SCHEMBL3852057 0.83 KDR (0.35) KDR
SCHEMBL3844610 0.82 KDR (0.36) KDR
SCHEMBL3845931 0.80 KDR (0.39) TGFBR1KDR
SCHEMBL3845853 0.79 FLT3 (0.36) TGFBR1
SCHEMBL3846605 0.78 TGFBR1 (0.37) TGFBR1
SCHEMBL5853410 0.78 FLT3 (0.36) TGFBR1
SCHEMBL3844677 0.77 FLT3 (0.37)
SCHEMBL3845847 0.77 KDR (0.37) TGFBR1KDR

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