SCHEMBL13846220

SCHEMBL13846220

COc1cnc(Nc2cccc([N+](=O)[O-])c2)nc1-c1cnn(C(CN)C2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.53
▸ CCNT1 O60563 8/20 0.53
▸ CDK9 P50750 8/20 0.53
▸ CCNE1 P24864 6/20 0.53
▸ CCNE2 O96020 3/20 0.53
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ CCNA2 P20248 4/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ CDK1 P06493 6/20 0.41
▸ CCNB1 P14635 6/20 0.41
▸ CDK4 P11802 5/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CCNH P51946 4/20 0.41
▸ CCND1 P24385 3/20 0.41
▸ ABL1 P00519 5/20 0.41
▸ BCR P11274 3/20 0.41
▸ PRKCA P17252 3/20 0.41
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 3/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL3709727 0.90 JAK2 (0.52) CDK2CCNT1CDK9CCNE1CCNE2
SCHEMBL13846277 0.88 JAK2 (0.43) CDK2CCNT1CDK9CCNE1CCNE2
SCHEMBL13846293 0.82 IRAK4 (0.44) CDK2CCNT1CDK9CCNE1JAK2
SCHEMBL13846263 0.82 IRAK4 (0.44) CDK2CCNT1CDK9CCNE1JAK2
SCHEMBL13846270 0.82 PRKCQ (0.43) CDK2CCNE1ABL1EGFRGSK3B
SCHEMBL13846297 0.81 LRRK2 (0.43) CDK2CCNT1CDK9CCNE1JAK2
SCHEMBL13846291 0.81 FFAR1 (0.39) CDK2CCNT1CDK9CCNE1CCNE2
SCHEMBL13846280 0.80 LRRK2 (0.44) CDK2CCNT1CDK9CCNE1CCNA2
SCHEMBL13846369 0.80 LRRK2 (0.46) CDK2CCNT1CDK9CCNA2CCNA1
SCHEMBL13846362 0.80 LRRK2 (0.44) CDK2CCNE1JAK2TYK2

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-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — WO disclosed
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