SCHEMBL26871218

SCHEMBL26871218

C=CC(C)(C)c1cc(Cl)n2ncc(Cl)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCNT1 O60563 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK4 P11802 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK7 P50613 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CCNH P51946 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ CDK3 Q00526 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ CDK5R1 Q15078 2/20 0.32
▸ CCNC P24863 1/20 0.32

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
SCHEMBL26870979 0.87 KDM4E (0.36) KDM4EALDH1A1MAPTRAB9A
SCHEMBL26871243 0.86 KDM4E (0.33) KDM4EALDH1A1MAPTRAB9A
SCHEMBL26873554 0.86 KDM4E (0.36) KDM4EALDH1A1MAPTRAB9ACCNT1
SCHEMBL26871082 0.75 CDK2 (0.36) KDM4EALDH1A1MAPTRAB9ACCNT1
SCHEMBL26870956 0.73 PDE10A (0.53) —
SCHEMBL26873560 0.73 CDK9 (0.63) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL31465393 0.71 KDM4E (0.59) KDM4EALDH1A1MAPTRAB9ACCNT1
SCHEMBL12953072 0.70 PDE10A (0.46) KDM4EALDH1A1MAPTRAB9ACCNT1
SCHEMBL26869184 0.70 KDM4E (0.36) KDM4EALDH1A1MAPTRAB9ACCNA2
SCHEMBL12953015 0.68 CDK2 (0.52) KDM4EALDH1A1MAPTRAB9ACCNA2

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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