SCHEMBL26872817

SCHEMBL26872817

Cc1cnn2c(NC3CCCC3)cc(C(C)(C)C3CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ NR2F2 P24468 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CHEK1 O14757 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CSNK2A1 P68400 2/20 0.36
▸ CSNK2A2 P19784 3/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ GSK3B P49841 1/20 0.34

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
SCHEMBL26872835 0.87 CDK2 (0.46) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL26872849 0.87 CSNK2B (0.45) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL26872826 0.85 CDK9 (0.50) CCNT1CDK9CDK2
SCHEMBL26872908 0.83 CDK9 (0.48) CCNT1CDK9CDK2
SCHEMBL26871792 0.83 CSNK2B (0.46) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL26871074 0.78 KDM4E (0.35) RAB9AMEN1KMT2ACSNK2A1KDM4E
SCHEMBL26868395 0.78 PIM1 (0.36) RAB9AMEN1KMT2ANPC1CHEK1
SCHEMBL22899498 0.78 RAB9A (0.51) RAB9AMEN1KMT2ANPC1NR2F2
SCHEMBL26871653 0.78 CDK9 (0.58) CCNT1CDK9CDK2
SCHEMBL26871139 0.76 KDM4E (0.34) RAB9AMEN1KMT2ACSNK2A1KDM4E

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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