SCHEMBL3854561

SCHEMBL3854561

CN(C)Cc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.37
TGFBR2 P37173 1/20 0.36
AXL P30530 4/20 0.34
FLT3 P36888 4/20 0.34
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
EED O75530 1/20 0.33
SLC2A1 P11166 1/20 0.32
MET P08581 1/20 0.32
TYRO3 Q06418 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL3846122 0.89 FYN (0.42) TGFBR1TGFBR2
SCHEMBL3849616 0.89 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL3846170 0.86 TGFBR1 (0.46) TGFBR1TGFBR2
SCHEMBL3852272 0.86 TGFBR1 (0.41) TGFBR1TGFBR2MET
SCHEMBL3847481 0.86 TGFBR1 (0.40) TGFBR1TGFBR2FLT3
SCHEMBL3846843 0.86 TGFBR1 (0.41) TGFBR1TGFBR2
SCHEMBL3855867 0.86 TGFBR1 (0.40) TGFBR1TGFBR2
SCHEMBL4712454 0.85 TGFBR1 (0.39) TGFBR1TGFBR2
SCHEMBL3846055 0.85 TGFBR1 (0.42) TGFBR1TGFBR2
SCHEMBL3854925 0.83 TGFBR1 (0.39) TGFBR1TGFBR2

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