SCHEMBL3846525

SCHEMBL3846525

FC(F)c1nc(-c2cnc3ccc(Br)cn23)no1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.48
PIK3CA P42336 5/20 0.40
MTOR P42345 3/20 0.40
FLT3 P36888 1/20 0.38
EIF2AK4 Q9P2K8 12/20 0.37
PIK3CB P42338 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL3851193 0.87 MAP3K14 (0.48) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3768686 0.80 MAP3K14 (0.48) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3847433 0.80 PIK3CA (0.51) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3849418 0.78 NR1H4 (0.52) MAP3K14PIK3CAMTORFLT3PIK3CB
SCHEMBL3847032 0.77 MAP3K14 (0.45) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3849684 0.77 RAB9A (0.48) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL19586824 0.77 MAP3K14 (0.45) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3849365 0.76 MAP3K14 (0.42) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL3848399 0.75 MAP3K14 (0.43) MAP3K14PIK3CAMTORFLT3EIF2AK4
SCHEMBL19585798 0.74 MAP3K14 (0.56) MAP3K14PIK3CAMTORFLT3EIF2AK4

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