SCHEMBL3852672

SCHEMBL3852672

CS(=O)(=O)c1nnc(-c2cnc3ccc(Br)cn23)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.42
MTOR P42345 2/20 0.42
MAP3K14 Q99558 1/20 0.41
KCNH2 Q12809 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.39
FLT3 P36888 5/20 0.35
PIK3R1 P27986 3/20 0.35
NOTUM Q6P988 1/20 0.34
ADORA2A P29274 1/20 0.32
PIK3CD O00329 1/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK2 P24941 1/20 0.32
PIK3CB P42338 1/20 0.32
CSNK1E P49674 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 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
SCHEMBL3846918 0.78 MAP3K14 (0.46) PIK3CAMTORMAP3K14KCNH2EIF2AK4
SCHEMBL3848376 0.77 PIK3CA (0.43) PIK3CAMTORMAP3K14FLT3
SCHEMBL3854310 0.77 PIK3CA (0.52) PIK3CAMTORMAP3K14FLT3PIK3R1
SCHEMBL3846544 0.75 MAP3K14 (0.44) PIK3CAMTORMAP3K14KCNH2EIF2AK4
SCHEMBL3848709 0.75 PIK3CA (0.44) PIK3CAMTORMAP3K14EIF2AK4FLT3
SCHEMBL15756919 0.75 KCNH2 (0.67) PIK3CAMTORMAP3K14KCNH2FLT3
SCHEMBL3846180 0.73 ALDH1A1 (0.44) PIK3CAMTORMAP3K14EIF2AK4FLT3
SCHEMBL3851120 0.72 PIK3CA (0.45) PIK3CAMTORMAP3K14FLT3PIK3R1
SCHEMBL18785910 0.72 PIK3CA (0.42) PIK3CAMTORMAP3K14KCNH2EIF2AK4
SCHEMBL3846450 0.71 FLT3 (0.50) PIK3CAMTORMAP3K14KCNH2EIF2AK4

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