SCHEMBL19983856

SCHEMBL19983856

CNCc1cn(Sc2cccnc2)c2cc(Nc3cccnc3C(F)(F)F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.34
METAP2 P50579 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL19984089 0.88 METAP2 (0.32) METAP2TRPV1
SCHEMBL19983721 0.86 HTR2C (0.32) METAP2
SCHEMBL19983840 0.86 LRRK2 (0.36) GRM4
SCHEMBL19984132 0.85 HDAC11 (0.31) METAP2
SCHEMBL19983981 0.83 CNR2 (0.34) CYP1A2CYP2C19
SCHEMBL19984177 0.83 HTR2C (0.39) METAP2
SCHEMBL19983883 0.83 HTR2C (0.32)
SCHEMBL19983848 0.82 MAP3K8 (0.32) METAP2
SCHEMBL19983826 0.82 ABCG2 (0.37) METAP2CYP1A2
SCHEMBL19984007 0.82 MAT2A (0.34) CYP2C19

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