SCHEMBL26871792

SCHEMBL26871792

C=CC(C)(C)c1cc(NC2CCCC2)n2ncc(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2B P67870 1/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ CHEK1 O14757 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ ATM Q13315 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CSNK2A1 P68400 3/20 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
SCHEMBL26873603 0.87 CSNK2B (0.46) CSNK2BRAB9AMEN1KMT2ANPC1
SCHEMBL26871796 0.86 CDK9 (0.48) CCNT1CDK9CDK2
SCHEMBL26872817 0.83 RAB9A (0.46) CSNK2BRAB9AMEN1KMT2ANPC1
SCHEMBL26869154 0.83 KDM4E (0.34) RAB9ANPC1ATMKDM4ECDK2
SCHEMBL26871783 0.79 CDK9 (0.56) CCNT1CDK9CDK2
SCHEMBL22899498 0.76 RAB9A (0.51) CSNK2BRAB9AMEN1KMT2ANPC1
SCHEMBL26869184 0.75 KDM4E (0.36) RAB9AMEN1KMT2ANPC1CHEK1
SCHEMBL26870979 0.75 KDM4E (0.36) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL26873560 0.74 CDK9 (0.63) CCNT1CDK9CDK2GSK3B
SCHEMBL18405326 0.73 RAB9A (0.59) CSNK2BRAB9AMEN1KMT2ANPC1

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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