SCHEMBL20008443

SCHEMBL20008443

C=CCCN(CCC)c1cc(-n2nnc3ccccc32)cnc1CCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
SLC9A1 P19634 6/20 0.32
RAB9A P51151 2/20 0.32
ALOX15 P16050 1/20 0.31
CREBBP Q92793 1/20 0.31
LCK P06239 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 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
SCHEMBL20008300 0.76 SMN1; SMN2 (0.44) SMN1; SMN2SLC9A1RAB9ALCKTSHR
SCHEMBL16848667 0.68 SLC9A1 (0.45) SMN1; SMN2SLC9A1RAB9AALOX15CREBBP
SCHEMBL20008350 0.65
SCHEMBL20008772 0.65 BRAF (0.31)
SCHEMBL21041662 0.64 RAB9A (0.37) SMN1; SMN2SLC9A1RAB9ATSHRNPC1
SCHEMBL21041668 0.64 SLC9A1 (0.35) SMN1; SMN2SLC9A1RAB9ATSHRNPC1
SCHEMBL19782622 0.64 RAB9A (0.46) SMN1; SMN2SLC9A1RAB9ATSHRNPC1
SCHEMBL20008148 0.63 CRHR1 (0.32)
SCHEMBL14685487 0.62 RAB9A (0.45) SMN1; SMN2SLC9A1RAB9ATSHRPOLB
SCHEMBL19733923 0.62 SMN1; SMN2 (0.46) SMN1; SMN2SLC9A1RAB9ATSHRNPC1

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