SCHEMBL4441986

SCHEMBL4441986

COc1ccc(N2N=C(c3ccccc3)c3ccccc3C2N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
OXTR P30559 7/20 0.42
AVPR1A P37288 6/20 0.42
AVPR2 P30518 2/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
JAK2 O60674 1/20 0.37
CCKBR P32239 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
KDR P35968 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL4428347 0.72 MEN1 (0.46) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL31439068 0.64 NR1H3 (0.50) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL11619876 0.64 NR1H3 (0.50) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL1422182 0.63 HSD17B1 (0.67) MEN1KMT2AOXTRKDRMAPT
SCHEMBL577613 0.62 HSD17B1 (0.49) MEN1KMT2AOXTRKDRL3MBTL1
SCHEMBL13575392 0.61 L3MBTL1 (0.60) OXTRAVPR1AAVPR2JAK2L3MBTL1
SCHEMBL4477596 0.60 PTGS2 (0.57) MEN1KMT2A
SCHEMBL17004637 0.60 KDR (0.40) MEN1KMT2AOXTRAVPR1AAVPR2
SCHEMBL21397330 0.60 CHRNB2 (0.59) OXTRAVPR1ACHRNB2CHRNA4
SCHEMBL27657899 0.59 BRD4 (0.38) OXTRAVPR1AAVPR2JAK2L3MBTL1

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