SCHEMBL3846791

SCHEMBL3846791

NCCCNC(=O)c1ccc(-c2cnc3ccc(-c4c[nH]nc4-c4ccc(F)cc4)cn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.45
IKBKB O14920 2/20 0.44
FYN P06241 14/20 0.43
NAMPT P43490 2/20 0.41
RAD52 P43351 1/20 0.40
TDO2 P48775 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
SCHEMBL4713785 0.91 FYN (0.44) FYNNAMPTRAD52TDO2
SCHEMBL3851632 0.88 FYN (0.42) FYNNAMPTRAD52TDO2
Hydrochloric Acid SCHEMBL3856609 0.83 FYN (0.47) FYN
SCHEMBL3851968 0.82 FLT3 (0.40)
Hydrochloric Acid SCHEMBL3854393 0.82 FLT3 (0.42) FYN
SCHEMBL3848924 0.82 FYN (0.41) MAPK8IKBKBFYNNAMPTRAD52
SCHEMBL3847437 0.81 L3MBTL1 (0.40) FYNRAD52TDO2
SCHEMBL13874137 0.81 FLT3 (0.51) FYN
Hydrochloric Acid SCHEMBL3856691 0.80 FLT3 (0.50) FYN
SCHEMBL3847634 0.79 FLT3 (0.46) FYN

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