SCHEMBL19983957

SCHEMBL19983957

CNCc1cn(Sc2cncc(F)c2)c2cc(Nc3ccc(F)cc3C)cnc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
LYN P07948 2/20 0.33
BTK Q06187 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PIK3CA P42336 1/20 0.30
PRKDC P78527 1/20 0.30

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
SCHEMBL19984305 0.89 ALDH1A1 (0.41) SLC6A4LYNBTKALDH1A1
SCHEMBL16626774 0.79 SLC6A4 (0.36) SLC6A4LYNBTKALDH1A1PIK3CA
Hydrochloric Acid SCHEMBL16619578 0.78 SLC6A4 (0.35) SLC6A4LYNBTKALDH1A1PIK3CA
SCHEMBL19984281 0.76 SLC6A4 (0.33) SLC6A4
SCHEMBL19983916 0.76 KDM4E (0.30)
SCHEMBL19984306 0.74 LCK (0.35) SLC6A4
SCHEMBL19984065 0.73 P2RX7 (0.34)
SCHEMBL16626663 0.72 ALDH1A1 (0.40) SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL16618976 0.71 ALDH1A1 (0.40) SLC6A4ALDH1A1
SCHEMBL19984181 0.70 TRPV1 (0.30)

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed