SCHEMBL26868396

SCHEMBL26868396

CC(C)(c1cc(N)n2ncc(C(F)(F)F)c2n1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.38
▸ CHEK1 O14757 4/20 0.33
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CCNA1 P78396 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GFER P55789 1/20 0.31

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
SCHEMBL26868395 0.83 PIM1 (0.36) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL26868450 0.81 CDK2 (0.35) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL26868448 0.80 CDK2 (0.37) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL26868447 0.80 CHEK1 (0.51) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL26873342 0.77 CDK2 (0.36) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL26868252 0.73 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26868250 0.73 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26868249 0.73 MAP3K12 (0.33) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26868023 0.73 GRM2 (0.34) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL26868111 0.72 PIM1 (0.36) PIM1CHEK1CCNA2CDK2CCNA1

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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