SCHEMBL22630554

SCHEMBL22630554

CCC(CO)Nc1ncc2nc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
JAK1 P23458 1/20 0.37
FYN P06241 2/20 0.36
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
CDK2 P24941 12/20 0.36
CDK5 Q00535 9/20 0.36
CDK5R1 Q15078 9/20 0.36
CCNA2 P20248 8/20 0.36
DYRK1A Q13627 7/20 0.36
CCNA1 P78396 7/20 0.36
CCNE1 P24864 3/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35

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
SCHEMBL20257916 1.00 KCNH3 (0.38) KCNH3CDK4CCND1JAK2JAK3
SCHEMBL10550427 0.92 SYK (0.33) CDK4CCND1JAK2JAK3JAK1
SCHEMBL6493178 0.79 CDK4 (0.38) KCNH3CDK4CCND1JAK2JAK3
SCHEMBL30850504 0.72 EGFR (0.36) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL7522894 0.72 KDM4E (0.33) CDK2CDK1KDM4EALDH1A1
SCHEMBL5072697 0.72 EGFR (0.36) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16873181 0.72 CYP3A4 (0.40) CDK2CCNA2CCNA1CDK1CCNB1
Isopropyl Alcohol SCHEMBL10551701 0.72 EGFR (0.33) CDK1
SCHEMBL5934350 0.72 HTT (0.40) MEN1ALDH1A1KMT2A
SCHEMBL3426594 0.71 MMP12 (0.32) CDK4CDK1KDM4EALDH1A1KMT2A

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-3310783-B1 COMPOSITIONS FOR THE PREVENTION OF HEARING LOSS TING THERAPEUTICS LLC (US) 2020-11-04 EP disclosed