SCHEMBL3867609

SCHEMBL3867609

NC(=O)[C@@H]1CCCN1Cc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4C(F)(F)F)cn23)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
EIF2AK4 Q9P2K8 9/20 0.34
SCN9A Q15858 2/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
MKNK1 Q9BUB5 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
LMNA P02545 1/20 0.33
PIK3CA P42336 1/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL3877554 0.90 MKNK1 (0.39) POLBPDCD1CD274MKNK1MKNK2
SCHEMBL3873971 0.89 GRM2 (0.35) POLBEIF2AK4SCN9AMKNK1MKNK2
SCHEMBL3867613 0.88 POLB (0.32) POLBEIF2AK4SCN9APDCD1CD274
SCHEMBL3872041 0.86 MKNK1 (0.36) POLBPDCD1CD274MKNK1MKNK2
Hydrochloric Acid SCHEMBL3873117 0.83 SCN9A (0.35) POLBEIF2AK4SCN9AMKNK1MKNK2
SCHEMBL3877558 0.79 MKNK1 (0.34) POLBMKNK1MKNK2
SCHEMBL3873973 0.79 GRM2 (0.32) POLB
SCHEMBL3865934 0.78 MKNK1 (0.40) MKNK1MKNK2
SCHEMBL3871263 0.76 PIK3CA (0.41) MKNK1MKNK2PIK3CA
Hydrochloric Acid SCHEMBL3864674 0.76 FLT3 (0.38) POLBSCN9AMKNK1MKNK2PIK3CA

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