SCHEMBL3846441

SCHEMBL3846441

CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(N5CCOCC5)cc4)cn23)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.40
MKNK2 Q9HBH9 7/20 0.40
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
EIF4E P06730 1/20 0.36
FLT3 P36888 7/20 0.35
TP53 P04637 3/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TGFBR1 P36897 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL3848234 0.87 MKNK1 (0.41) MKNK1MKNK2PIK3CAMTOREIF4E
SCHEMBL3845544 0.86 FLT3 (0.44) MKNK1MKNK2FLT3TGFBR1
SCHEMBL3850681 0.86 FLT3 (0.37) MKNK1MKNK2FLT3TGFBR1FYN
SCHEMBL3849419 0.85 FLT3 (0.36) MKNK1MKNK2FLT3FYN
SCHEMBL3846331 0.84 FYN (0.38) FLT3FYN
SCHEMBL3848455 0.84 MKNK1 (0.38) MKNK1MKNK2EIF4EFLT3TGFBR1
SCHEMBL3853072 0.84 FLT3 (0.49) FLT3TGFBR1
SCHEMBL3846538 0.83 FLT3 (0.36) MKNK1MKNK2FLT3MAPTSMN1; SMN2
SCHEMBL3847065 0.83 FLT3 (0.34) FLT3
SCHEMBL3851974 0.83 TGFBR1 (0.38) MKNK1MKNK2FLT3TGFBR1

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