SCHEMBL31060547

SCHEMBL31060547

CN(C)C1CCN(c2ccc3nc(C(=O)c4ccc(C#N)c(-c5cncc6ccccc56)c4)[nH]c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.80
CCND1 P24385 6/20 0.80
CCND3 P30281 5/20 0.80
CDK6 Q00534 5/20 0.80
CCNA2 P20248 3/20 0.80
CDK2 P24941 3/20 0.80
CCNA1 P78396 3/20 0.80
CDK1 P06493 3/20 0.80
CCNB1 P14635 3/20 0.80
PARP1 P09874 1/20 0.39
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
SLC22A12 Q96S37 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
EGLN1 Q9GZT9 3/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM4 P08173 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL111803 1.00 CDK4 (0.80) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL13076543 0.90 CDK4 (0.64) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL110134 0.89 CDK4 (0.66) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL111482 0.88 CDK4 (0.65) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL158179 0.88 CDK4 (0.61) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL111463 0.87 CDK4 (0.75) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2142406 0.85 CDK4 (0.78) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL114117 0.85 CDK4 (0.78) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL112680 0.83 CDK4 (0.57) CDK4CCND1CCND3CDK6CCNA2
SCHEMBL2143643 0.83 CDK4 (0.57) CDK4CCND1CCND3CDK6CCNA2

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-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed