SCHEMBL28149552

SCHEMBL28149552

Oc1cc2ccncc2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
PDGFRB P09619 4/20 0.39
PDGFRA P16234 4/20 0.39
EGFR P00533 2/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPKAPK2 P49137 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
CDC7 O00311 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
MAPK10 P53779 1/20 0.33
HTT P42858 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL28197945 0.85 DAO (0.42) DAOPDGFRBPDGFRAEGFRKDM4E
SCHEMBL14012753 0.77 HASPIN (0.37) PDGFRBPDGFRAKDM4EMAP4K4MINK1
SCHEMBL14038256 0.77 MAP4K4 (0.35) PDGFRBPDGFRAKDM4EMAP4K4MINK1
SCHEMBL6004354 0.77 HPGD (0.58) DAOPDGFRBPDGFRAEGFRKDM4E
SCHEMBL28378899 0.77 ALDH1A1 (0.53) PDGFRBPDGFRAKDM4EMAP4K4MINK1
SCHEMBL29663644 0.77 ALDH1A1 (0.53) PDGFRBPDGFRAKDM4EMAP4K4MINK1
SCHEMBL14012754 0.77 MAP4K4 (0.33) PDGFRBPDGFRAMAP4K4MINK1TNIK
SCHEMBL27805672 0.75 KEAP1 (0.46) KDM4EKDM4AKDM4DKDM4CALDH1A1
SCHEMBL1067857 0.74 KDM4E (0.59) EGFRKDM4EALDH1A1GLAHTT
SCHEMBL31544472 0.74 KDM4E (0.59) EGFRKDM4EALDH1A1GLAHTT

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
CN-106795147-A Cyclopropyl fused thiazine-2-amine compounds as beta-secretase inhibitors and methods of use 美国安进公司 2017-05-31 CN disclosed