SCHEMBL20172050

SCHEMBL20172050

N#Cc1ccc(Nc2ncc(C#CCCCN)c(NP)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.51
FLT3 P36888 1/20 0.44
AURKA O14965 1/20 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
CHEK1 O14757 2/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
STK17A Q9UEE5 9/20 0.39
STK17B O94768 6/20 0.39
MERTK Q12866 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
SCHEMBL20171963 0.90 SYK (0.49) SYKFLT3AURKACYP1A2CYP2D6
SCHEMBL15584301 0.89 SYK (0.51) SYKFLT3AURKACYP1A2CYP2D6
SCHEMBL16450162 0.88 SYK (0.58) SYKFLT3AURKACYP1A2CYP2D6
SCHEMBL15585199 0.86 FLT3 (0.58) SYKFLT3CHEK1STK17ASTK17B
SCHEMBL20172003 0.86 NPC1 (0.53) SYKFLT3AURKACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL21046222 0.85 FLT3 (0.57) SYKFLT3CHEK1STK17ASTK17B
SCHEMBL15585214 0.83 SYK (0.52) SYKFLT3AURKACYP1A2CYP2D6
SCHEMBL20172004 0.81 SYK (0.48) SYKCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15584691 0.80 SYK (0.42) SYKFLT3AURKAMAPK9NPC1
SCHEMBL20172044 0.80 FLT3 (0.54) SYKFLT3AURKACYP1A2CYP2D6

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
EP-3323811-B1 PRODUCTION METHOD FOR NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND INTERMEDIATE OF SAID NITROGEN-CONTAINING HETEROCYCLIC COMPOUND FUJIFILM CORP (JP) 2019-05-08 EP disclosed
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