SCHEMBL29847842

SCHEMBL29847842

CN(C)CCOc1ccc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4)nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.49
▸ CCND1 P24385 6/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ CDK1 P06493 3/20 0.49
▸ CCNB1 P14635 3/20 0.49
▸ CCNE1 P24864 3/20 0.49
▸ JUN P05412 4/20 0.48
▸ MAPK8 P45983 4/20 0.48
▸ MAPK10 P53779 4/20 0.48
▸ CCNA2 P20248 1/20 0.47
▸ CCND2 P30279 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ EGFR P00533 2/20 0.46
▸ PTK2 Q05397 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ TTK P33981 1/20 0.44
▸ PLK1 P53350 1/20 0.43

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
SCHEMBL16514846 1.00 CDK4 (0.49) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL16514044 0.92 JAK2 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL29847745 0.92 JAK2 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL16514357 0.91 MAPK10 (0.57) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL29846996 0.90 CDK4 (0.48) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL16823073 0.90 CDK4 (0.43) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL16514858 0.90 CDK4 (0.48) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL29847455 0.88 CDK4 (0.46) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL16514202 0.88 CDK4 (0.46) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL29847488 0.88 CDK4 (0.46) CDK4CCND1CDK2CDK1CCNB1

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
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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