SCHEMBL26868320

SCHEMBL26868320

CC[C@@H](c1cc(N)n2ncc(C(F)(F)F)c2n1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ MAP3K12 Q12852 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL26868318 1.00 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868315 1.00 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868249 0.84 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868252 0.84 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868250 0.84 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868281 0.84 CCNT1 (0.37) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868207 0.83 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868247 0.83 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868205 0.83 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1CCNT1
SCHEMBL26868861 0.80 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1CCNT1

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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