SCHEMBL26873532

SCHEMBL26873532

N[C@H]1CC[C@H](Nc2cc(CC3CC3)nc3c(Cl)cnn23)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 18/20 0.65
▸ CCNT1 O60563 17/20 0.65
▸ CDK2 P24941 9/20 0.65
▸ CDK7 P50613 8/20 0.65
▸ CDK4 P11802 7/20 0.65
▸ CCND1 P24385 7/20 0.65
▸ CCNH P51946 7/20 0.65
▸ CCNE1 P24864 6/20 0.65
▸ CCNA1 P78396 6/20 0.65
▸ CDK3 Q00526 6/20 0.65
▸ CDK1 P06493 5/20 0.65
▸ CCNA2 P20248 5/20 0.65
▸ CDK6 Q00534 5/20 0.65
▸ CDK5 Q00535 4/20 0.65
▸ CDK5R1 Q15078 4/20 0.65
▸ CCNC P24863 2/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ CDK13 Q14004 2/20 0.47
▸ CDK12 Q9NYV4 2/20 0.47
▸ MAPKAPK2 P49137 1/20 0.44

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
SCHEMBL26873500 0.87 CDK9 (0.48) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL26873523 0.85 CCNT1 (0.45) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL21946526 0.85 CDK9 (0.72) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL26873415 0.83 CDK9 (0.49) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL21946122 0.79 CDK9 (1.00) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL26871376 0.79 CDK9 (0.74) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL21946429 0.78 CDK9 (1.00) CDK9CCNT1CDK2CDK7CDK4
Hydrochloric Acid SCHEMBL29558312 0.78 CDK9 (0.98) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL26874107 0.76 CDK9 (0.82) CDK9CCNT1CDK2CDK7CDK4
SCHEMBL26874256 0.76 CDK9 (0.82) CDK9CCNT1CDK2CDK7CDK4

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