SCHEMBL26868450

SCHEMBL26868450

CC(C)(c1cc(N)n2ncc(C3CC3)c2n1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.35
▸ CHEK1 O14757 10/20 0.35
▸ CCNA2 P20248 9/20 0.35
▸ CCNA1 P78396 9/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL26868395 0.84 PIM1 (0.36) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL26875254 0.82 CDK2 (0.37) CDK2CHEK1GSK3BKDM4ENPC1
SCHEMBL26868447 0.81 CHEK1 (0.51) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL26868396 0.81 PIM1 (0.38) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL26868448 0.81 CDK2 (0.37) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL26873342 0.78 CDK2 (0.36) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL14394867 0.77 CHEK1 (0.39) CDK2CHEK1CCNA2CCNA1KDM4E
SCHEMBL13901473 0.75 CHEK1 (0.38) CDK2CHEK1CCNA2CCNA1KDM4E
SCHEMBL26868111 0.73 PIM1 (0.36) CDK2CHEK1CCNA2CCNA1PIM1
SCHEMBL26868394 0.71 CDK2 (0.46) CDK2CHEK1CCNA2CCNA1KDM4E

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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