SCHEMBL28736007

SCHEMBL28736007

CC(C)N1CCOc2c(F)cc(-c3nc(Nc4cccc(N5CCCNCC5)c4)ncc3F)cc21

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 19/20 0.78
▸ CDK6 Q00534 19/20 0.78
▸ CSF1R P07333 18/20 0.78
▸ CCNA2 P20248 3/20 0.78
▸ CDK2 P24941 3/20 0.78
▸ PIK3CD O00329 3/20 0.76
▸ CCNE1 P24864 1/20 0.76
▸ CCNK O75909 1/20 0.65
▸ CDK7 P50613 1/20 0.65
▸ CDK9 P50750 1/20 0.65
▸ CCNH P51946 1/20 0.65
▸ CDK5 Q00535 1/20 0.65
▸ CDK5R1 Q15078 1/20 0.65

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
SCHEMBL29660547 1.00 CDK4 (0.78) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21267318 0.90 CSF1R (0.94) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21267651 0.89 CDK4 (0.84) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL29660551 0.88 CDK4 (0.82) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL28735927 0.88 CDK4 (0.82) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21267114 0.88 CDK4 (0.83) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21245697 0.87 CDK4 (1.00) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21245823 0.86 CSF1R (1.00) CDK4CDK6CSF1RCCNA2CDK2
SCHEMBL21245762 0.86 CDK4 (1.00) CDK4CDK6CSF1RCCNA2CDK2
Hydrochloric Acid SCHEMBL21245603 0.86 CSF1R (0.98) CDK4CDK6CSF1RCCNA2CDK2

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-114502536-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-05-13 — — CN disclosed
Send feedback