SCHEMBL26872363

SCHEMBL26872363

CC[C@H](c1cc(N)n2nccc2n1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.45
▸ CDK9 P50750 19/20 0.45
▸ CDK4 P11802 4/20 0.45
▸ CCND1 P24385 4/20 0.45
▸ CDK7 P50613 3/20 0.45
▸ CCNH P51946 3/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNA1 P78396 2/20 0.45
▸ CCNK O75909 1/20 0.45
▸ CDK14 O94921 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CCNC P24863 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CDK3 Q00526 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK17 Q00537 1/20 0.45
▸ CDK18 Q07002 1/20 0.45

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
SCHEMBL26868185 1.00 CCNT1 (0.45) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26872289 1.00 CCNT1 (0.45) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26872962 0.95 CCNT1 (0.47) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871014 0.84 PDE10A (0.51) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867819 0.82 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867814 0.82 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867820 0.82 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26872049 0.82 CCNT1 (0.51) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867726 0.82 CCNA2 (0.48) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL14043130 0.81 CCNT1 (0.48) 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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