SCHEMBL16809305

SCHEMBL16809305

Cc1ccc(C(N)=O)cc1Oc1ccnc(Nc2cnn(C)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 2/20 0.58
▸ NR2C2 P49116 2/20 0.58
▸ ALK Q9UM73 2/20 0.50
▸ CDK19 Q9BWU1 1/20 0.50
▸ JAK2 O60674 6/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ JAK3 P52333 4/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ CDC7 O00311 2/20 0.42
▸ DAPK3 O43293 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ PRKD3 O94806 2/20 0.42
▸ MAP4K4 O95819 2/20 0.42
▸ PAK4 O96013 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PRKACA P17612 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ SYK P43405 2/20 0.42

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
SCHEMBL30967733 0.75 NR2C2 (1.00) HCKNR2C2MAP4K4MAP4K2BTK
SCHEMBL16809262 0.75 NR2C2 (1.00) HCKNR2C2MAP4K4MAP4K2BTK
SCHEMBL16793977 0.73 TYK2 (0.56) ALKCDK19JAK2JAK1TYK2
SCHEMBL4561175 0.72 JAK3 (0.53) ALKCDK19JAK2JAK1TYK2
SCHEMBL4559693 0.71 ALK (0.62) ALKCDK19JAK2JAK1TYK2
SCHEMBL23281912 0.71 ABL1 (0.49) ALKCDK19JAK2JAK1TYK2
SCHEMBL23275907 0.70 CDK4 (0.49) JAK2JAK1TYK2JAK3CDK2
SCHEMBL29901235 0.70 CDK4 (0.49) JAK2JAK1TYK2JAK3CDK2
SCHEMBL29622852 0.70 ALK (0.57) ALKCDK19JAK2JAK1TYK2
SCHEMBL29676559 0.70 JAK3 (0.57) ALKCDK19JAK2JAK1TYK2

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-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 — — WO disclosed
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