SCHEMBL26867735

SCHEMBL26867735

N#Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 11/20 0.56
▸ CDK9 P50750 11/20 0.56
▸ CDK2 P24941 6/20 0.56
▸ CDK4 P11802 4/20 0.56
▸ CCND1 P24385 4/20 0.56
▸ CDK1 P06493 3/20 0.56
▸ CCNA2 P20248 3/20 0.56
▸ CCNE1 P24864 3/20 0.56
▸ CDK7 P50613 3/20 0.56
▸ CCNH P51946 3/20 0.56
▸ CCNA1 P78396 3/20 0.56
▸ CDK3 Q00526 3/20 0.56
▸ CDK6 Q00534 3/20 0.56
▸ CDK5 Q00535 3/20 0.56
▸ CDK5R1 Q15078 3/20 0.56
▸ CSNK2A1 P68400 3/20 0.48
▸ CCNC P24863 2/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ CCNK O75909 1/20 0.45
▸ CDK14 O94921 1/20 0.45

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
SCHEMBL21946126 0.88 CCNT1 (0.72) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871380 0.86 CSNK2A1 (0.52) CDK2CSNK2A1BCL6CSNK2A2
SCHEMBL26871568 0.84 CDK9 (0.62) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871701 0.83 CDK9 (0.58) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871882 0.82 CDK9 (0.66) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26872810 0.81 CDK9 (0.56) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871754 0.81 CDK9 (0.61) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871447 0.76 CDK9 (0.78) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26871319 0.76 CDK9 (0.78) CCNT1CDK9CDK2CDK4CCND1
SCHEMBL26870862 0.75 CDK2 (0.44) CDK2CCNA2CCNA1CSNK2A1MAPKAPK2

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
Send feedback