SCHEMBL31472287

SCHEMBL31472287

CCN(CC)c1cnc2ccc(-c3nc(NC4CCN(C(C)=O)CC4)ncc3F)cc2n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 11/20 0.61
PIM1 P11309 4/20 0.59
CCNT1 O60563 1/20 0.55
CDK4 P11802 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CDK2 P24941 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55
MNAT1 P51948 1/20 0.55
PIM3 Q86V86 1/20 0.55
DYRK2 Q92630 8/20 0.51
MAPK1 P28482 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
SCHEMBL29233636 1.00 CDK6 (0.61) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL31472294 0.91 CDK6 (0.58) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL29233656 0.91 CDK6 (0.58) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL31472289 0.86 CDK2 (0.58) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL29233639 0.86 CDK2 (0.58) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL31472291 0.86 CDK6 (0.55) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL29212666 0.84 DYRK2 (0.71) CDK6DYRK2
SCHEMBL29233673 0.84 CDK6 (0.56) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL31472292 0.84 CDK6 (0.56) CDK6PIM1CCNT1CDK4CCNA2
SCHEMBL31472293 0.84 CDK6 (0.64) CDK6PIM1CCNT1CDK4CCNA2

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-118184629-B Pyrimidine quinoxaline CDK inhibitor and preparation method and application thereof 中国药科大学 2025-02-07 CN disclosed