SCHEMBL3846517

SCHEMBL3846517

FC(F)(F)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(I)n2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.35
SCN5A Q14524 1/20 0.33
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
NR1D1 P20393 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
SCHEMBL3852869 0.84 TGFBR1 (0.38) TGFBR1
SCHEMBL3846292 0.84 FLT3 (0.45) TGFBR1SCN5ADYRK1ADYRK2
SCHEMBL3845882 0.83 TGFBR1 (0.36) TGFBR1
SCHEMBL3845976 0.83 TGFBR1 (0.40) TGFBR1
SCHEMBL3848408 0.81 TGFBR1 (0.36) TGFBR1
SCHEMBL3846518 0.80
SCHEMBL3848635 0.80 TGFBR1 (0.45) TGFBR1
SCHEMBL3853919 0.78 TGFBR1 (0.33) TGFBR1
SCHEMBL3846145 0.77 CYP1A2 (0.45) TGFBR1DYRK1A
SCHEMBL3847131 0.77 KCNH2 (0.41) 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