SCHEMBL3365876

SCHEMBL3365876

Cc1cnc(N)nc1-c1cc(C#N)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.43
EGLN2 Q96KS0 4/20 0.40
RPS6KA3 P51812 1/20 0.40
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GRM5 P41594 1/20 0.36
CHUK O15111 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL3364120 0.85 EGLN2 (0.47) MAP3K14EGLN2ADORA2AADORA1CYP11B1
SCHEMBL3364838 0.84 MAP3K14 (0.46) MAP3K14EGLN2ADORA2AADORA1CYP11B1
SCHEMBL3397294 0.77 HRH3 (0.51) RPS6KA3ADORA2AADORA1CYP11B2HRH3
SCHEMBL3365760 0.75 ADORA2A (0.58) ADORA2AADORA1
SCHEMBL3361914 0.74 ADORA2A (0.51) EGLN2ADORA2AADORA1CYP11B1CYP11B2
SCHEMBL3362493 0.73 EGLN2 (0.44) MAP3K14EGLN2ADORA2AADORA1CYP11B1
SCHEMBL25552036 0.73 PDK1 (0.41) EGLN2CYP11B1CYP11B2
SCHEMBL30037562 0.73 PDK1 (0.41) EGLN2CYP11B1CYP11B2
SCHEMBL3364050 0.73 ADORA1 (0.47) MAP3K14ADORA2AADORA1CHUKALOX5AP
SCHEMBL3366225 0.73 HSP90AB1 (0.44) EGLN2CYP11B1CYP11B2HSP90AB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed