SCHEMBL20008300

SCHEMBL20008300

CCCc1ncc(-n2nnc3ccccc32)cc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
SLC9A1 P19634 6/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.39
LCK P06239 1/20 0.39
NPC1 O15118 2/20 0.38
KCNMA1 Q12791 1/20 0.38
CYP4Z1 Q86W10 1/20 0.37
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19733923 0.79 SMN1; SMN2 (0.46) SMN1; SMN2TSHRSLC9A1RAB9ANPC1
SCHEMBL25583358 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRSLC9A1RAB9APOLB
SCHEMBL20008443 0.76 SMN1; SMN2 (0.32) SMN1; SMN2TSHRSLC9A1RAB9APOLB
SCHEMBL19782622 0.74 RAB9A (0.46) SMN1; SMN2TSHRSLC9A1RAB9APOLB
SCHEMBL16358826 0.73 SMN1; SMN2 (0.64) SMN1; SMN2TSHRSLC9A1RAB9ANPC1
SCHEMBL25946057 0.73 SMN1; SMN2 (0.45) SMN1; SMN2TSHRSLC9A1RAB9ANPC1
SCHEMBL13589297 0.72 SMN1; SMN2 (0.52) SMN1; SMN2TSHRSLC9A1RAB9APOLB
SCHEMBL14685487 0.71 RAB9A (0.45) SMN1; SMN2TSHRSLC9A1RAB9APOLB
SCHEMBL25099467 0.71 SMN1; SMN2 (0.43) SMN1; SMN2TSHRSLC9A1RAB9ANPC1
SCHEMBL24101005 0.71 SMN1; SMN2 (0.38) SMN1; SMN2TSHRSLC9A1RAB9APOLB

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed