SCHEMBL22146349

SCHEMBL22146349

Cc1nc2cc(C(F)(F)F)ccn2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.43
TRPA1 O75762 1/20 0.39
MAT2A P31153 8/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL14685161 0.81 USP7 (0.47) USP7TRPA1MAT2AKDM4EALDH1A1
SCHEMBL12750259 0.79 ALDH1A1 (0.53) USP7KDM4EALDH1A1
SCHEMBL22167597 0.78 ALDH1A1 (0.35) MAT2AKDM4EALDH1A1
SCHEMBL15767366 0.78 USP7 (0.45) USP7TRPA1MAT2AKDM4EALDH1A1
SCHEMBL20100109 0.78 TRPA1 (0.46) USP7TRPA1MAT2AKDM4EALDH1A1
SCHEMBL22145956 0.75 USP7 (0.42) USP7TRPA1MAT2AALDH1A1CA2
SCHEMBL22152284 0.74 ADORA3 (0.38) KDM4EALDH1A1
SCHEMBL22152347 0.74 HTR6 (0.37) KDM4EALDH1A1
SCHEMBL22146342 0.74 TLR9 (0.38) KDM4EALDH1A1
SCHEMBL7974317 0.74 KMT2A (0.56) USP7TRPA1KDM4EALDH1A1

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
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed