SCHEMBL3873973

SCHEMBL3873973

NC(=O)[C@@H]1CCCN1Cc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
FLT3 P36888 2/20 0.31
POLB P06746 1/20 0.31
TGFBR1 P36897 5/20 0.31
TGFBR2 P37173 4/20 0.31
LCK P06239 1/20 0.30
AURKB Q96GD4 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
SCHEMBL3872044 0.93 MKNK1 (0.32) POLB
SCHEMBL3867613 0.91 POLB (0.32) POLB
SCHEMBL3877558 0.91 MKNK1 (0.34) POLB
SCHEMBL3873971 0.89 GRM2 (0.35) GRM2FLT3POLBTGFBR1TGFBR2
SCHEMBL3846605 0.85 TGFBR1 (0.37) FLT3TGFBR1TGFBR2
SCHEMBL3848401 0.81 FLT3 (0.38) FLT3
SCHEMBL3848959 0.81 FLT3 (0.38) FLT3
SCHEMBL3872041 0.81 MKNK1 (0.36) FLT3POLBTGFBR1LCK
SCHEMBL3845853 0.81 FLT3 (0.36) FLT3TGFBR1TGFBR2
SCHEMBL5853410 0.81 FLT3 (0.36) FLT3TGFBR1TGFBR2

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