SCHEMBL19447235

SCHEMBL19447235

CCc1cccc(C(=O)Nc2cncc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
BRAF P15056 2/20 0.50
MAPT P10636 1/20 0.50
GSK3B P49841 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2C9 P11712 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
NT5E P21589 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
GRM5 P41594 3/20 0.48
KCNK3 O14649 2/20 0.48
KCNK9 Q9NPC2 2/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL15676738 0.83 MEN1 (0.74) THRBMEN1KMT2ARXFP1MAPT
SCHEMBL15676754 0.82 NPC1 (0.61) THRBMEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL19087072 0.82 BCAT2 (0.63) THRBMEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL19087055 0.81 GRM5 (0.65) THRBMEN1KMT2ASMN1; SMN2BRAF
SCHEMBL12228481 0.79 HDAC1 (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19116772 0.78 GRM5 (0.64) MEN1KMT2ABRAFNPC1RAB9A
SCHEMBL19087022 0.78 GRM5 (0.67) THRBMEN1KMT2ARXFP1BRAF
SCHEMBL19117169 0.78 TRPV1 (0.58) SMN1; SMN2NPC1RAB9ATRPV1KCNK3
SCHEMBL23015732 0.78 TDP1 (0.78) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL4317671 0.77 CSF1R (0.53) BRAFMAPTGSK3BCYP2C9GRM5

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-2848610-B1 Inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-10-11 EP disclosed