SCHEMBL21170671

SCHEMBL21170671

CC(C)(C)SC(=O)N1CCN(c2ncnc3[nH]c(Br)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIT P10721 19/20 0.48
LIMK2 P53671 1/20 0.39

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
SCHEMBL17282985 0.82 KIT (0.69) KIT
SCHEMBL15689398 0.69 KIT (0.70) KIT
SCHEMBL31706572 0.65 JAK3 (0.42) KIT
SCHEMBL15689394 0.65 KIT (1.00) KIT
SCHEMBL2272116 0.63 KIT (0.62) KIT
SCHEMBL4467935 0.62 RIPK1 (0.64) KIT
SCHEMBL15516007 0.62 KIT (0.70) KIT
SCHEMBL30945074 0.62 KIT (0.64) KIT
SCHEMBL5067873 0.61 KIT (0.55) KITLIMK2
SCHEMBL5278122 0.61 LMNA (0.67)

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-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed