SCHEMBL19068898

SCHEMBL19068898

C=N/C(=C\C(=C/C)c1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1C)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.51
RAF1 P04049 10/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19068913 0.87 RAF1 (0.53) BRAFRAF1RAB9A
SCHEMBL19068912 0.82 BRAF (0.55) BRAFRAF1RAB9ANPC1SMN1; SMN2
SCHEMBL16034801 0.68 RAF1 (1.00) BRAFRAF1
SCHEMBL16035931 0.68 BRAF (1.00) BRAFRAF1
SCHEMBL16121499 0.67 RAF1 (1.00) BRAFRAF1
SCHEMBL20131047 0.67 HTT (0.74) RAB9ANPC1SMN1; SMN2KMT2ACASP1
SCHEMBL23677225 0.67 SMN1; SMN2 (0.70) BRAFRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3932223 0.67 BRAF (0.71) BRAFRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL16078173 0.67 RAF1 (1.00) BRAFRAF1
SCHEMBL12157463 0.67 TSHR (0.73) RAB9ASMN1; SMN2KMT2AKDM4ERECQL

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
US-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 US disclosed