SCHEMBL3851429

SCHEMBL3851429

COc1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccc(-c5ccc(C(=O)O)cc5)cc4)cn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
FYN P06241 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
GFER P55789 1/20 0.42
CLK1 P49759 2/20 0.42
DYRK1A Q13627 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CHEK1 O14757 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
RIPK2 O43353 1/20 0.40

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
SCHEMBL3846438 0.88 BRS3 (0.45) FYNMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3854393 0.86 FLT3 (0.42) MAP4K4FYNMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3847766 0.84 FLT3 (0.52) FYNKMT2ACLK1DYRK1ARIPK2
SCHEMBL30209308 0.82 FYN (0.55) MAP4K4FYNKDM4EALDH1A1GAA
SCHEMBL13874587 0.78 FYN (0.45) MAP4K4FYNKDM4EALDH1A1CLK1
Hydrochloric Acid SCHEMBL3856609 0.77 FYN (0.47) FYNMKNK1MKNK2RIPK2FLT3
SCHEMBL3855071 0.76 CLK1 (0.52) MEN1KMT2ACYP1A2GAACYP2C19
SCHEMBL13874137 0.76 FLT3 (0.51) FYNCLK1DYRK1ACHEK1MKNK1
SCHEMBL13874519 0.76 MKNK1 (0.51) FYNMKNK1MKNK2RIPK2PRMT5
Hydrochloric Acid SCHEMBL3856691 0.75 FLT3 (0.50) FYNCLK1DYRK1ACHEK1MKNK1

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