SCHEMBL26872947

SCHEMBL26872947

Nc1cc(C(F)C2CCCC2)nc2ccnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ CCNT1 O60563 19/20 0.44
▸ CDK9 P50750 19/20 0.44
▸ CDK4 P11802 4/20 0.42
▸ CCND1 P24385 4/20 0.42
▸ CDK7 P50613 4/20 0.42
▸ CCNH P51946 4/20 0.42
▸ CCNK O75909 1/20 0.38
▸ CDK14 O94921 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNC P24863 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK3 Q00526 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK17 Q00537 1/20 0.38

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
SCHEMBL26873181 0.97 CCNT1 (0.47) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26873161 0.97 CCNT1 (0.47) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26872928 0.97 CCNT1 (0.47) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26868692 0.84 CCNT1 (0.50) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26871153 0.84 PDE10A (0.49) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL26868787 0.84 CCNT1 (0.50) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26868322 0.84 CCNT1 (0.50) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26868453 0.81 CCNT1 (0.53) CCNA2CDK2CCNA1CHEK1CCNT1
SCHEMBL26871148 0.81 PDE10A (0.49) CCNA2CDK2CCNA1CCNT1CDK9
SCHEMBL26867726 0.80 CCNA2 (0.48) CCNA2CDK2CCNA1CHEK1CCNT1

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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