SCHEMBL26871753

SCHEMBL26871753

CCc1cnn2c(NC3CCCC3)cc(C(C3CC3)C3CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2B P67870 1/20 0.44
▸ CDK9 P50750 13/20 0.43
▸ CCNT1 O60563 10/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ CDK2 P24941 7/20 0.40
▸ CDK5 Q00535 7/20 0.40
▸ CDK7 P50613 6/20 0.40
▸ CDK1 P06493 6/20 0.40
▸ CCNA2 P20248 5/20 0.40
▸ CCNA1 P78396 5/20 0.40
▸ CDK4 P11802 5/20 0.40
▸ CCND1 P24385 5/20 0.40
▸ CCNH P51946 5/20 0.40
▸ CCNE1 P24864 4/20 0.40
▸ CDK6 Q00534 4/20 0.40
▸ CDK5R1 Q15078 4/20 0.40

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
SCHEMBL26871814 0.90 CDK9 (0.44) CSNK2BCDK9CCNT1RAB9AMEN1
SCHEMBL26869077 0.87 CDK9 (0.38) CDK9CCNT1CDK2CDK5CDK7
SCHEMBL26871754 0.86 CDK9 (0.61) CDK9CCNT1CDK2CDK5CDK7
SCHEMBL26871566 0.84 RAB9A (0.47) CSNK2BCDK9CCNT1RAB9AMEN1
SCHEMBL26871688 0.81 CSNK2B (0.46) CSNK2BCDK9CCNT1RAB9AMEN1
SCHEMBL26870935 0.79 CDK2 (0.39) CDK9CCNT1RAB9ACDK2CDK5
SCHEMBL26869093 0.79 CHEK1 (0.52) CDK9CCNT1RAB9AMEN1NPC1
SCHEMBL26871380 0.79 CSNK2A1 (0.52) CSNK2BCDK2CSNK2A1
SCHEMBL26872804 0.79 CSNK2B (0.41) CSNK2BCDK9CCNT1RAB9AMEN1
SCHEMBL26871818 0.76 CDK9 (0.60) CDK9CCNT1CDK2CDK5CDK7

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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