SCHEMBL3846282

SCHEMBL3846282

Brc1ccc2ncc(-c3nnc(C4CC4)s3)n2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.43
FLT3 P36888 5/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
TRIM24 O15164 2/20 0.34
TRIM33 Q9UPN9 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
ADORA2A P29274 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31
MAPK10 P53779 1/20 0.31
FYN P06241 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3848111 0.75 PIK3CA (0.44) MAP3K14FLT3PIK3CAMTORTRIM24
SCHEMBL3849727 0.75 PIK3CA (0.53) MAP3K14FLT3PIK3CAMTORTRIM24
SCHEMBL3846180 0.73 ALDH1A1 (0.44) MAP3K14FLT3PIK3CAMTOREIF2AK4
SCHEMBL17338752 0.72 TGFBR1 (0.43) MAP3K14FLT3PIK3CAMTORTRIM24
SCHEMBL3852593 0.71 MAP3K14 (0.51) MAP3K14FLT3PIK3CAMTOREIF2AK4
SCHEMBL3849684 0.70 RAB9A (0.48) MAP3K14FLT3PIK3CAMTOREIF2AK4
SCHEMBL3850491 0.69 PIK3CA (0.44) MAP3K14FLT3PIK3CAMTORTRIM24
SCHEMBL15756965 0.67 MAP3K14 (0.54) MAP3K14FLT3PIK3CAMTORFYN
SCHEMBL4254179 0.66 MAP3K14 (0.56) MAP3K14FLT3PIK3CAMTORGAA
SCHEMBL19585798 0.66 MAP3K14 (0.56) MAP3K14FLT3PIK3CAMTOREIF2AK4

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