SCHEMBL29514977

SCHEMBL29514977

CCN1CC2CC1CN2c1ccc(Nc2ncc(F)cn2)nc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CDK6 Q00534 6/20 0.38
CCND1 P24385 4/20 0.38
JAK1 P23458 3/20 0.38
CDK4 P11802 8/20 0.37
BRAF P15056 1/20 0.36
TTK P33981 1/20 0.36
CDK1 P06493 1/20 0.36
MAP3K12 Q12852 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL22650580 0.74 CHRNB2 (0.52) BRAFMAP3K12PARP1PARP2
SCHEMBL17489094 0.74 CDK4 (0.63) CDK6CCND1CDK4BRAFCDK1
SCHEMBL20153226 0.72 CHRNB2 (0.56) CHRNB4CHRNA3BRAFMAP3K12PARP1
SCHEMBL23296211 0.72 CCNA2 (0.57) CDK6CCND1CDK4CDK1
SCHEMBL30541026 0.70 CDK6 (0.54) CDK6CCND1CDK4CDK1
SCHEMBL29684118 0.67 CDK6 (0.58) CDK6CCND1CDK4CDK1
SCHEMBL23296218 0.67 CDK6 (0.58) CDK6CCND1CDK4CDK1
SCHEMBL30541143 0.67 CCNA2 (0.49) CDK6CCND1CDK4CDK1
SCHEMBL8012152 0.66 DRD3 (0.40) BRAFMAP3K12
SCHEMBL25135260 0.66 CDK4 (0.59) CDK6CCND1CDK4

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
EP-4214213-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS Prelude Therapeutics, Incorporated (US) 2023-07-26 EP claimed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO claimed