SCHEMBL4428347

SCHEMBL4428347

COc1ccc(N2Cc3ccccc3C(c3ccccc3)=N2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OXTR P30559 8/20 0.41
AVPR1A P37288 7/20 0.41
AVPR2 P30518 2/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
KDR P35968 1/20 0.36
CCKBR P32239 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL4441986 0.72 MEN1 (0.45) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL4668530 0.69 USP2 (0.31) NPC1PKMRAB9AUSP2
SCHEMBL4668559 0.68 BTK (0.36) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL31439068 0.65 NR1H3 (0.50) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL11619876 0.65 NR1H3 (0.50) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL1422182 0.64 HSD17B1 (0.67) MEN1KMT2AOXTRKDRNPC1
SCHEMBL577613 0.63 HSD17B1 (0.49) MEN1KMT2AOXTRKDRNPC1
SCHEMBL29092646 0.62 OPRM1 (0.47) MEN1KMT2ACHRNB2CHRNA4SLC6A2
SCHEMBL29872335 0.62 MEN1 (0.53) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL4477596 0.61 PTGS2 (0.57) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed