SCHEMBL5853404

SCHEMBL5853404

CN(C)C(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.42
TGFBR1 P36897 11/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TGFBR2 P37173 3/20 0.34

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
SCHEMBL3846603 0.90 FLT3 (0.41) FLT3TGFBR1TGFBR2
SCHEMBL3845849 0.89 KDM4E (0.42) FLT3TGFBR1NPC1RAB9AMKNK1
SCHEMBL5853410 0.85 FLT3 (0.36) FLT3TGFBR1NPC1RAB9AMKNK1
SCHEMBL3845847 0.84 KDR (0.37) FLT3TGFBR1NPC1RAB9AMKNK1
SCHEMBL3848105 0.83 FLT3 (0.44) FLT3TGFBR1
SCHEMBL3848398 0.83 FLT3 (0.44) FLT3TGFBR1
SCHEMBL3845544 0.83 FLT3 (0.44) FLT3TGFBR1MKNK1MKNK2
SCHEMBL3848179 0.82 FLT3 (0.45) FLT3TGFBR1TGFBR2
Hydrochloric Acid SCHEMBL3850907 0.80 FLT3 (0.45) FLT3TGFBR1NPC1RAB9AMKNK1
SCHEMBL3846088 0.80 FLT3 (0.45) FLT3NPC1RAB9AMKNK1MKNK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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