SCHEMBL26872849

SCHEMBL26872849

CC(C)(c1cc(NC2CCCC2)n2ncc(F)c2n1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2B P67870 1/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NR2F2 P24468 1/20 0.43
▸ KCNH2 Q12809 3/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CSNK2A2 P19784 6/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL26872817 0.87 RAB9A (0.46) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26872835 0.86 CDK2 (0.46) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26873603 0.84 CSNK2B (0.46) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26871088 0.79 KDM4E (0.32) RAB9AKDM4EMAPT
SCHEMBL26871653 0.77 CDK9 (0.58) CCNT1CDK9CDK2
SCHEMBL26873489 0.73 CSNK2B (0.44) CSNK2BRAB9ANPC1MEN1KMT2A
SCHEMBL26872826 0.73 CDK9 (0.50) CCNT1CDK9CDK2
SCHEMBL26872838 0.72 CDK9 (0.66) CCNT1CDK9CDK2GSK3BMAPKAPK2
SCHEMBL26875254 0.71 CDK2 (0.37) CSNK2BRAB9ANPC1CHEK1KDM4E
SCHEMBL26871792 0.71 CSNK2B (0.46) CSNK2BRAB9ANPC1MEN1KMT2A

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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