SCHEMBL20172044

SCHEMBL20172044

CCCCC#Cc1cnc(Nc2ccc(C#N)cc2)nc1NCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.54
SYK P43405 2/20 0.49
AURKA O14965 3/20 0.44
PGK1 P00558 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM5 P41594 2/20 0.39
MAOB P27338 1/20 0.39
JAK3 P52333 2/20 0.39
JAK1 P23458 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MERTK Q12866 1/20 0.39
CDK1 P06493 3/20 0.38
CDK2 P24941 1/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL20129536 0.94 FLT3 (0.60) FLT3SYKAURKACYP1A2CYP2D6
SCHEMBL20129533 0.88 FLT3 (0.59) FLT3SYKAURKACYP1A2CYP2D6
SCHEMBL15585199 0.87 FLT3 (0.58) FLT3SYK
SCHEMBL15584131 0.87 FLT3 (0.60) FLT3SYKAURKAPGK1CYP1A2
Hydrochloric Acid SCHEMBL21046222 0.86 FLT3 (0.57) FLT3SYK
SCHEMBL20172039 0.82 FLT3 (0.56) FLT3SYKAURKAPGK1CYP1A2
SCHEMBL15584744 0.82 FLT3 (0.63) FLT3SYKAURKAGRM5JAK3
SCHEMBL15584132 0.82 FLT3 (0.57) FLT3SYKAURKACYP1A2CYP2D6
SCHEMBL19676120 0.82 FLT3 (0.49) FLT3SYKAURKACYP1A2CYP2D6
SCHEMBL15584311 0.82 FLT3 (0.53) FLT3SYKAURKACYP1A2CYP2D6

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-3323811-A1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM Corporation (JP) 2018-05-23 EP disclosed