SCHEMBL19983775

SCHEMBL19983775

CNCc1cn(Sc2cccc(OC(F)(F)F)c2)c2cc(Nc3ccc(C)cc3Cl)ccc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
ERBB3 P21860 2/20 0.34
ERBB4 Q15303 2/20 0.34
FBP1 P09467 2/20 0.33
BRAF P15056 2/20 0.33
P2RX7 Q99572 1/20 0.32
CTSC P53634 1/20 0.31
THRB P10828 1/20 0.31
VDR P11473 1/20 0.31
CFD P00746 1/20 0.31
KIT P10721 1/20 0.30
PDE2A O00408 1/20 0.30
LCK P06239 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
SCHEMBL19983885 0.91 FBP1 (0.39) EGFRERBB2ERBB3ERBB4FBP1
SCHEMBL19984029 0.88 APP (0.35) EGFRBRAF
SCHEMBL19984182 0.86 P2RX7 (0.31) P2RX7
SCHEMBL19984250 0.85 HTR2A (0.30)
SCHEMBL19983825 0.85 CARM1 (0.32)
SCHEMBL19984154 0.84 P2RX7 (0.34) P2RX7
SCHEMBL19983777 0.84 ADRB2 (0.37) FBP1P2RX7
SCHEMBL19984021 0.84 GAK (0.40) EGFRERBB2ERBB3ERBB4
SCHEMBL19984279 0.83 SLC6A4 (0.35) VDR
SCHEMBL19983946 0.82 SLC6A4 (0.38) FBP1

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