SCHEMBL21948982

SCHEMBL21948982

CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(N)=O)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 6/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ PIM1 P11309 4/20 0.49
▸ ROCK2 O75116 3/20 0.49
▸ PRKACA P17612 3/20 0.49
▸ GSK3B P49841 3/20 0.49
▸ HIPK2 Q9H2X6 3/20 0.49
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ TYK2 P29597 4/20 0.46
▸ DBF4 Q9UBU7 3/20 0.43
▸ ROCK1 Q13464 2/20 0.42
▸ PDPK1 O15530 3/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ PIM3 Q86V86 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL21964836 0.94 CDC7 (0.49) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL20688009 0.89 KDM4E (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL21948564 0.86 CDC7 (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL21961849 0.83 TYK2 (0.55) TYK2
SCHEMBL21948298 0.83 TYK2 (0.55) TYK2
SCHEMBL21948561 0.83 TYK2 (0.55) TYK2
SCHEMBL21960691 0.83 TYK2 (0.55) TYK2
SCHEMBL20689592 0.83 TYK2 (0.67) TYK2
SCHEMBL21948058 0.82 KDM4E (0.47) CDC7CDK2PIM1ROCK2PRKACA
SCHEMBL20697458 0.81 TYK2 (0.56) TYK2

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-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO disclosed
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