SCHEMBL4620185

SCHEMBL4620185

OC[C@H]1CCCN1C(I)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SPHK1 Q9NYA1 3/20 0.37
SPHK2 Q9NRA0 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CHRM3 P20309 1/20 0.36

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
SCHEMBL3451288 0.84 KMT2A (0.46) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL24359355 0.84 KMT2A (0.46) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL15109016 0.79 CHRNB4 (0.46) KMT2AMEN1CHRM3
SCHEMBL3827917 0.78 KCNA3 (0.31) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL17114344 0.77 KDM4E (0.46) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL17114345 0.77 KDM4E (0.46) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL4771389 0.75 ALDH1A1 (0.46) CYP1A2KDM4EALDH1A1
SCHEMBL25665529 0.74 SLC6A9 (0.46) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL8534618 0.73 OPRM1 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL4848261 0.73 KMT2A (0.43) KMT2AKDM4EALDH1A1SPHK1SPHK2

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-1888572-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006129064-A1 QUINAZOLINES AND THEIR USE AS AURORA KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-12-07 WO disclosed