SCHEMBL19983981

SCHEMBL19983981

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc(OC)cc3C(F)(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.34
MAPK14 Q16539 1/20 0.34
PIK3CA P42336 1/20 0.33
CNR1 P21554 1/20 0.33
GAK O14976 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PTK2 Q05397 3/20 0.31
KIF11 P52732 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BUB1 O43683 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
SCHEMBL19983844 0.90 ALDH1A1 (0.35) MAPK14PTK2MEN1KMT2AKDM4E
SCHEMBL19984132 0.89 HDAC11 (0.31)
SCHEMBL19984089 0.88 METAP2 (0.32) BUB1
SCHEMBL19984203 0.86 ABL1 (0.35) KDRMEN1KMT2AALDH1A1DGAT2
SCHEMBL19984007 0.84 MAT2A (0.34) KDRCYP3A4CYP2C9CYP2C19
SCHEMBL19983856 0.83 GRM4 (0.34) CYP1A2CYP2C19
SCHEMBL19984271 0.83 HTR2A (0.34) CNR2MAPK14GAKKDRMEN1
SCHEMBL19984223 0.83 SLC6A2 (0.32) PTK2CYP1A2CYP3A4CYP2C19JAK2
SCHEMBL19983874 0.82 CYP19A1 (0.33)
SCHEMBL19983840 0.82 LRRK2 (0.36) PTK2JAK2

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