SCHEMBL20008241

SCHEMBL20008241

CCC(F)(F)c1cc(C(=O)Nc2cccc(C)c2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RAB9A P51151 3/20 0.59
HTT P42858 1/20 0.59
RXFP1 Q9HBX9 1/20 0.56
KCNK3 O14649 6/20 0.55
KCNK9 Q9NPC2 6/20 0.55
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 2/20 0.51
RAF1 P04049 6/20 0.49
BRAF P15056 6/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL14308003 0.76 MEN1 (0.66) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL15238366 0.76 KCNK3 (0.67) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL259371 0.76 KMT2A (0.66) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL12764063 0.75 MEN1 (1.00) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL259421 0.74 KCNK3 (0.86) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL16094593 0.74 KDM4C (0.47) HTTLMNASMN1; SMN2ALDH1A1RAF1
SCHEMBL4253897 0.73 KCNK3 (0.93) MEN1KMT2ARAB9AHTTRXFP1
SCHEMBL22601558 0.73 LMNA (0.74) MEN1KMT2ARAB9AHTTKCNK3
SCHEMBL23309569 0.73 LMNA (0.74) RAB9AHTTKCNK3LMNASMN1; SMN2
SCHEMBL15604709 0.73 MEN1 (0.82) MEN1KMT2ARAB9AHTTRXFP1

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