SCHEMBL29546705

SCHEMBL29546705

NC(=O)Cc1cc2cc[nH]c2nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
CDK8 P49336 8/20 0.40
CDK7 P50613 2/20 0.40
CCNT1 O60563 1/20 0.40
CCND1 P24385 1/20 0.40
CCNC P24863 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK6 Q00534 1/20 0.40
HTT P42858 1/20 0.35
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34

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
SCHEMBL31205138 0.75 RIPK1 (0.48) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL30062504 0.74 KDR (0.36) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL21958557 0.74 KDR (0.36) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL30824076 0.73 HDAC6 (0.45) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL21358965 0.73 HDAC6 (0.45) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL5100708 0.73 RIPK1 (0.54) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL6364189 0.73 HTT (0.35) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL26538899 0.71 FGFR1 (0.38) RIPK1CDK8HTTKDRPDPK1
SCHEMBL30632797 0.70 PIM1 (0.39) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL20674174 0.67 RIPK1 (0.44) RIPK1CDK8CDK7CCNT1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022083560-A1 TYK2 SELECTIVE INHIBITOR AND USE THEREOF 南京药石科技股份有限公司 2022-04-28 WO disclosed