SCHEMBL23281887

SCHEMBL23281887

COC(=O)c1ccc(-c2ccnc(Nc3cnn(C)c3)n2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.58
▸ JAK2 O60674 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ CDK7 P50613 1/20 0.57
▸ CD69 Q07108 1/20 0.57
▸ AAK1 Q2M2I8 1/20 0.57
▸ MAP3K19 Q56UN5 1/20 0.57
▸ CDKL2 Q92772 1/20 0.57
▸ RIOK1 Q9BRS2 1/20 0.57
▸ RIOK2 Q9BVS4 1/20 0.57
▸ BMP2K Q9NSY1 1/20 0.57

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
SCHEMBL23275856 0.90 BTK (0.59) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL28353387 0.86 ABL1 (0.53) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23275728 0.83 JAK2 (0.68) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23275831 0.82 BTK (0.58) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23281912 0.82 ABL1 (0.49) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL31621209 0.81 BTK (0.58) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23281861 0.81 BTK (0.58) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23275874 0.80 BTK (0.55) BTKJAK2CYP3A4HRH2CDK7
SCHEMBL23275696 0.80 CAMK2D (0.66) BTKJAK2
SCHEMBL16793949 0.80 BTK (0.75) BTKJAK2CYP3A4HRH2CDK7

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-2021078023-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
CN-110627775-A Small molecule compound 嘉兴特科罗生物科技有限公司 2019-12-31 — — CN disclosed
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