SCHEMBL26873917

SCHEMBL26873917

CC(=N)N[C@H]1CC[C@H](Nc2cc(C(C3CC3)C3CC3)nc3c(C)cnn23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 17/20 0.43
▸ CDK9 P50750 17/20 0.43
▸ CDK4 P11802 7/20 0.43
▸ CCND1 P24385 7/20 0.43
▸ CDK2 P24941 7/20 0.43
▸ CDK1 P06493 6/20 0.43
▸ CCNA2 P20248 6/20 0.43
▸ CCNE1 P24864 6/20 0.43
▸ CCNA1 P78396 6/20 0.43
▸ CDK3 Q00526 6/20 0.43
▸ CDK6 Q00534 4/20 0.43
▸ CDK5 Q00535 4/20 0.43
▸ CDK5R1 Q15078 4/20 0.43
▸ CDK7 P50613 4/20 0.43
▸ CCNH P51946 4/20 0.43
▸ CCNC P24863 2/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CSNK2A1 P68400 2/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK14 O94921 1/20 0.34

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
SCHEMBL26871568 0.83 CDK9 (0.62) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26871566 0.81 RAB9A (0.47) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26873656 0.80 CCNT1 (0.58) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL21946105 0.76 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26872750 0.74 CCNT1 (0.44) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26871370 0.72 CDK9 (0.52) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26872077 0.71 CDK9 (0.63) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26872690 0.71 RAB9A (0.46) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26874333 0.71 CCNT1 (0.60) CCNT1CDK9CDK4CCND1CDK2
SCHEMBL26871882 0.71 CDK9 (0.66) CCNT1CDK9CDK4CCND1CDK2

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
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