SCHEMBL19671998

SCHEMBL19671998

CCCOc1ccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)=N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDK2 Q15119 1/20 0.37
PTPN11 Q06124 1/20 0.37
HTT P42858 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
FGFR1 P11362 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ACACB O00763 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SCD O00767 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL19671830 0.80 ALDH1A1 (0.46) KAT6AMAPTKMT2ATP53RXFP1
SCHEMBL19416920 0.79
SCHEMBL19672082 0.79 KDM4E (0.37) MAPTKMT2ARXFP1HTTRAB9A
SCHEMBL19416923 0.77 DRD2 (0.32)
SCHEMBL19671958 0.68 ALDH1A1 (0.40) KAT6AMAPTKMT2ATP53NPC1
SCHEMBL19672008 0.67 KCNK2 (0.34)
SCHEMBL8146895 0.65 KMT2A (0.58) KMT2ATP53PTPN11HTTPDE10A
SCHEMBL13641412 0.63 SMN1; SMN2 (0.70) MAPTKMT2AHTTNPC1RAB9A
SCHEMBL11346811 0.62 MAPT (0.47) MAPTKMT2ATP53RXFP1HTT
SCHEMBL14134168 0.61 LTA4H (0.68) KMT2AHDAC8ALDH1A1

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-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed