SCHEMBL26873320

SCHEMBL26873320

CC(c1cc(NC2CCN(N)C2)n2nccc2n1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.57
▸ CDK9 P50750 20/20 0.57
▸ CDK4 P11802 5/20 0.57
▸ CCND1 P24385 5/20 0.57
▸ CDK7 P50613 4/20 0.57
▸ CCNH P51946 4/20 0.57
▸ CDK2 P24941 3/20 0.52
▸ CCNA1 P78396 3/20 0.52
▸ CDK1 P06493 2/20 0.50
▸ CCNA2 P20248 2/20 0.50
▸ CCNE1 P24864 2/20 0.50
▸ CDK3 Q00526 2/20 0.50
▸ CDK5 Q00535 2/20 0.50
▸ CDK5R1 Q15078 2/20 0.50
▸ CCNK O75909 1/20 0.50
▸ CDK14 O94921 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CCNC P24863 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ CDK17 Q00537 1/20 0.50

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
SCHEMBL26873627 0.89 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26873631 0.86 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26873319 0.85 CCNT1 (0.54) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26873956 0.84 CCNT1 (0.80) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871401 0.84 CCNT1 (0.76) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26873982 0.84 CCNT1 (0.79) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26874001 0.84 CCNT1 (0.79) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26874023 0.84 CCNT1 (0.79) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871832 0.83 CCNT1 (0.74) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871419 0.82 CDK9 (0.82) CCNT1CDK9CDK4CCND1CDK7

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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