SCHEMBL15533672

SCHEMBL15533672

COc1ccc(-c2cc(Nc3ccc(Br)cn3)ncn2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
RAB9A P51151 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
ATM Q13315 1/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 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
SCHEMBL15533631 0.82 ABL1 (0.46) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL15533525 0.80 MEN1 (0.62) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL15533951 0.79 PIK3CG (0.50) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL15535224 0.79 MEN1 (0.44) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL3381635 0.77 FYN (0.50) MAPTRAB9AMEN1KMT2AATM
SCHEMBL15533812 0.76 ALDH1A1 (0.46) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL10685065 0.75 MEN1 (0.46) MAPTRAB9AMEN1KMT2AGAA
SCHEMBL15533744 0.75 MEN1 (0.61) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL15533950 0.74 ABL1 (0.47) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5923911 0.73 TRPV1 (0.56) MEN1KMT2AALDH1A1BACE1TDO2

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
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed
WO-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO disclosed