SCHEMBL26873161

SCHEMBL26873161

Nc1cc([C@@H](F)C2CCC2)nc2ccnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.47
▸ CDK9 P50750 19/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ 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 1.00 CCNT1 (0.47) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26872928 1.00 CCNT1 (0.47) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26872947 0.97 CCNA2 (0.47) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868498 0.84 CCNT1 (0.53) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868453 0.84 CCNT1 (0.53) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26871148 0.84 PDE10A (0.49) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868496 0.84 CCNT1 (0.53) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868787 0.81 CCNT1 (0.50) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868692 0.81 CCNT1 (0.50) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26867726 0.80 CCNA2 (0.48) CCNT1CDK9CCNA2CDK2CCNA1

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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