SCHEMBL26872154

SCHEMBL26872154

C[C@@H](c1cc(N)n2nccc2n1)C1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.41
▸ CDK9 P50750 19/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CDK7 P50613 3/20 0.41
▸ CCNH P51946 3/20 0.41
▸ CDK2 P24941 3/20 0.40
▸ CCNA1 P78396 3/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ CDK1 P06493 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK3 Q00526 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36

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
SCHEMBL26872212 1.00 CCNT1 (0.41) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26872035 1.00 CCNT1 (0.41) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26871265 0.83 PDE10A (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26872198 0.81 CCNT1 (0.50) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26874533 0.81 CCNT1 (0.53) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL17787567 0.79 CCNT1 (0.43) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867814 0.76 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867819 0.76 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL26867820 0.76 CCNT1 (0.46) CCNT1CDK9CDK4CCND1CDK7
SCHEMBL31465366 0.74 CDK2 (0.43) 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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