SCHEMBL21783716

SCHEMBL21783716

CC/C=C\c1c(Cl)cc(Cl)nc1N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TYMP P19971 1/20 0.33
PGK1 P00558 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLP1R P43220 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL4188467 0.72 ALDH1A1 (0.37) KMT2AGLP1RHSP90AA1HSP90AB1
SCHEMBL30313634 0.72 ALDH1A1 (0.37) KMT2AGLP1RHSP90AA1HSP90AB1
SCHEMBL18075327 0.70 PDE2A (0.44) KMT2AKDM4ETYMP
SCHEMBL18075325 0.70 PDE2A (0.44) KMT2AKDM4ETYMP
SCHEMBL4797238 0.64 ALDH1A1 (0.43) KMT2AKDM4EGLP1RHSP90AA1HSP90AB1
SCHEMBL10322856 0.63 ALDH1A1 (0.44) KMT2AKDM4ETYMPHTTSMN1; SMN2
SCHEMBL14416284 0.63 ALDH1A1 (0.44) KMT2AKDM4ETYMPHTTSMN1; SMN2
SCHEMBL257115 0.63 ALDH1A1 (0.44) KMT2AKDM4ETYMPHTTSMN1; SMN2
SCHEMBL25249144 0.62 MAPKAPK2 (0.31)
SCHEMBL25291852 0.62 MAPKAPK2 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020081154-A1 INHIBITORS OF ανβ6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-04-23 WO disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed