SCHEMBL20008481

SCHEMBL20008481

C=CN/C=C(\C=C/C)c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.48
BRAF P15056 11/20 0.47
RAF1 P04049 10/20 0.47
BTK Q06187 3/20 0.42
TEK Q02763 1/20 0.42
CYP2C9 P11712 1/20 0.40
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BLK P51451 1/20 0.40
BMX P51813 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL20008523 0.84 LMNA (0.34) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20008367 0.82 RAF1 (0.41) BRAFRAF1CYP2C9
SCHEMBL20008343 0.75 RAF1 (0.38) BRAFRAF1BTK
SCHEMBL20008527 0.75 RAF1 (0.36) BRAFRAF1
SCHEMBL26074344 0.74 LMNA (0.74) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20008186 0.73
SCHEMBL19068912 0.72 BRAF (0.55) LMNANPC1RAB9ASMN1; SMN2BRAF
SCHEMBL20008380 0.72 RAF1 (0.48) BRAFRAF1
SCHEMBL20009422 0.71 MEN1 (0.33) LMNASMN1; SMN2
SCHEMBL3936862 0.70 BRAF (0.57) LMNANPC1RAB9ASMN1; SMN2BRAF

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