SCHEMBL26872826

SCHEMBL26872826

Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C)(C)C3CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 19/20 0.50
▸ CCNT1 O60563 18/20 0.50
▸ CDK2 P24941 9/20 0.50
▸ CDK4 P11802 8/20 0.50
▸ CCND1 P24385 8/20 0.50
▸ CDK7 P50613 8/20 0.50
▸ CCNE1 P24864 7/20 0.50
▸ CCNA1 P78396 7/20 0.50
▸ CDK3 Q00526 7/20 0.50
▸ CCNH P51946 7/20 0.50
▸ CDK1 P06493 6/20 0.50
▸ CCNA2 P20248 6/20 0.50
▸ CDK6 Q00534 5/20 0.50
▸ CDK5 Q00535 4/20 0.50
▸ CDK5R1 Q15078 4/20 0.50
▸ CDK13 Q14004 2/20 0.42
▸ CDK12 Q9NYV4 2/20 0.42
▸ CCNC P24863 2/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK14 O94921 1/20 0.41

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
SCHEMBL26872908 0.96 CDK9 (0.48) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26872838 0.88 CDK9 (0.66) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26872817 0.85 RAB9A (0.46) CDK9CCNT1CDK2
SCHEMBL26871796 0.85 CDK9 (0.48) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26871658 0.80 CDK9 (0.65) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26871568 0.77 CDK9 (0.62) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26872897 0.77 CDK9 (0.62) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26868395 0.76 PIM1 (0.36) CDK2CCNA1CCNA2CYP1A2
SCHEMBL21946097 0.76 CDK9 (0.67) CDK9CCNT1CDK2CDK4CCND1
SCHEMBL26873415 0.75 CDK9 (0.49) CDK9CCNT1CDK2CDK4CCND1

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
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
Send feedback