SCHEMBL9102027

SCHEMBL9102027

CC(C)Nc1nc2ccncc2c(=O)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ KDM4C Q9H3R0 7/20 0.51
▸ JAK2 O60674 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PDE9A O76083 4/20 0.41
▸ KDM5A P29375 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ LATS1 O95835 1/20 0.39
▸ LATS2 Q9NRM7 1/20 0.39
▸ ELANE P08246 1/20 0.38

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
SCHEMBL12102095 0.78 PARP1 (0.61) KDM4EALDH1A1KDM4CPARP1PDE5A
SCHEMBL26017637 0.71 KDM4C (0.46) ALDH1A1KDM4CPARP1PDE5AKDM5A
SCHEMBL11783377 0.71 KDM4C (0.55) ALDH1A1KDM4CPARP1PDE5AKDM5A
SCHEMBL26694443 0.71 KDM4C (0.55) ALDH1A1KDM4CPARP1PDE5AKDM5A
SCHEMBL20299026 0.69 HPGD (0.71) ALDH1A1KDM4CPARP1PDE5APDE10A
SCHEMBL6514859 0.69 KDM4C (0.78) ALDH1A1KDM4CPARP1PDE5APDE10A
SCHEMBL30837976 0.69 ALDH1A1 (0.56) KDM4EALDH1A1PARP1PDE5A
SCHEMBL14344516 0.68 KDM4C (0.80) KDM4EALDH1A1KDM4CPARP1PDE5A
SCHEMBL10267532 0.68 LATS1 (0.51) JAK2LATS1LATS2
SCHEMBL21072845 0.68 KDM4E (0.54) KDM4EALDH1A1KDM4CPARP1PDE5A

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-2459558-A2 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 — — EP disclosed
Send feedback