SCHEMBL3850102

SCHEMBL3850102

CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccc(N5CCOCC5)cc4)cn23)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.44
MKNK2 Q9HBH9 6/20 0.44
FLT3 P36888 8/20 0.42
PIK3CA P42336 4/20 0.40
MTOR P42345 2/20 0.40
EIF4E P06730 1/20 0.38
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 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
Hydrochloric Acid SCHEMBL3848158 0.85 FLT3 (0.55) MKNK1MKNK2FLT3
Hydrochloric Acid SCHEMBL3848171 0.85 FLT3 (0.56) MKNK1MKNK2FLT3
SCHEMBL3848209 0.84 FLT3 (0.44) MKNK1MKNK2FLT3
SCHEMBL3856687 0.83 FLT3 (0.46) MKNK1MKNK2FLT3
SCHEMBL3848234 0.82 MKNK1 (0.41) MKNK1MKNK2FLT3PIK3CAMTOR
SCHEMBL3845761 0.82 FLT3 (0.42) MKNK1MKNK2FLT3
SCHEMBL3847431 0.81 FLT3 (0.44) FLT3
Hydrochloric Acid SCHEMBL3856334 0.80 FLT3 (0.48) MKNK1MKNK2FLT3
SCHEMBL3849754 0.78 FLT3 (0.51) FLT3PIK3CA
SCHEMBL3846125 0.77 PIK3CA (0.43) MKNK1MKNK2FLT3PIK3CAMTOR

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