SCHEMBL26868281

SCHEMBL26868281

CCC(c1cc(NC)n2ncc(C(F)(F)F)c2n1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.37
▸ CDK9 P50750 4/20 0.37
▸ CDK1 P06493 2/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CDK7 P50613 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ CDK3 Q00526 2/20 0.33
▸ CDK6 Q00534 2/20 0.33
▸ CDK5 Q00535 2/20 0.33
▸ CDK5R1 Q15078 2/20 0.33
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ TYK2 P29597 12/20 0.32
▸ PDE4D Q08499 1/20 0.31
▸ PDE2A O00408 2/20 0.30

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
SCHEMBL26874375 0.91 CCNT1 (0.34) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26868320 0.84 CHEK1 (0.34) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868318 0.84 CHEK1 (0.34) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868315 0.84 CHEK1 (0.34) CCNT1CDK9CCNA2CDK2CCNA1
SCHEMBL26868375 0.73 CCNT1 (0.35) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26872049 0.73 CCNT1 (0.51) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26872804 0.73 CSNK2B (0.41) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26869077 0.71 CDK9 (0.38) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26871740 0.70 CCNT1 (0.37) CCNT1CDK9CDK1CDK4CCNA2
SCHEMBL26874421 0.69 CCNT1 (0.38) CCNT1CDK9CDK1CDK4CCNA2

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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