SCHEMBL3844901

SCHEMBL3844901

Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1-c1ccc2ncc(-c3ccc4nc(CCCC#N)sc4c3)n2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.36
TGFBR1 P36897 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL3848449 0.89 LIPG (0.34) LIPGTGFBR1
SCHEMBL3849965 0.86 MKNK1 (0.30) TGFBR1
SCHEMBL3844904 0.86 LIPG (0.31) LIPG
SCHEMBL13874203 0.86 LIPG (0.34) LIPGTGFBR1DRD2DRD4DRD3
SCHEMBL3847218 0.81 LIPG (0.34) LIPGTGFBR1
SCHEMBL3850994 0.78 FLT3 (0.36) TGFBR1
SCHEMBL3848391 0.77 FLT3 (0.34) TGFBR1
SCHEMBL3848452 0.76
SCHEMBL3848515 0.76 KDM4E (0.34) TGFBR1
SCHEMBL3845285 0.75 TGFBR1 (0.34) LIPGTGFBR1

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