SCHEMBL20008523

SCHEMBL20008523

C=CN/C=C(\C=C/C)c1cc(Nc2ccnc(C(C)(C)C)c2)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BTK Q06187 3/20 0.33
PRKCI P41743 1/20 0.33
FAAH O00519 1/20 0.31
BLK P51451 2/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
TEC P42680 1/20 0.30
TXK P42681 1/20 0.30
BMX P51813 1/20 0.30
JAK3 P52333 1/20 0.30
ERBB4 Q15303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL20008481 0.84 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2BTK
SCHEMBL20008186 0.77
SCHEMBL20009422 0.75 MEN1 (0.33) LMNASMN1; SMN2
SCHEMBL20008527 0.71 RAF1 (0.36) RAF1BRAF
SCHEMBL20008548 0.71 TP53 (0.31)
SCHEMBL20008147 0.71 CASP1 (0.35) ALDH1A1
SCHEMBL20008343 0.68 RAF1 (0.38) BTKRAF1BRAF
SCHEMBL20008153 0.66
SCHEMBL20008531 0.65
SCHEMBL20008390 0.64

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