SCHEMBL3846558

SCHEMBL3846558

Fc1ccc(-c2n[nH]cc2-c2ccc3ncc(-c4ccccn4)n3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.44
TGFBR2 P37173 4/20 0.43
FLT3 P36888 5/20 0.41
MAPK14 Q16539 1/20 0.41
NRAS P01111 1/20 0.38
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL3855569 0.91 TGFBR1 (0.50) TGFBR1TGFBR2FLT3NRAS
SCHEMBL13874280 0.90 FLT3 (0.49) TGFBR1TGFBR2FLT3MAPK14MAPT
Hydrochloric Acid SCHEMBL3846111 0.89 FLT3 (0.48) TGFBR1TGFBR2FLT3MAPK14MAPT
SCHEMBL3850704 0.89 FLT3 (0.43) TGFBR1TGFBR2FLT3MAPK14PRMT5
SCHEMBL13874612 0.89 TGFBR1 (0.42) TGFBR1TGFBR2FLT3NRAS
SCHEMBL3854481 0.88 TGFBR1 (0.46) TGFBR1TGFBR2FLT3NRAS
Hydrochloric Acid SCHEMBL3850678 0.88 TGFBR1 (0.41) TGFBR1TGFBR2FLT3NRAS
SCHEMBL13874137 0.87 FLT3 (0.51) TGFBR1FLT3PRMT5WDR77
SCHEMBL5852289 0.86 TGFBR1 (0.43) TGFBR1TGFBR2FLT3NRAS
Hydrochloric Acid SCHEMBL3856691 0.86 FLT3 (0.50) TGFBR1FLT3PRMT5WDR77

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