SCHEMBL7767541

SCHEMBL7767541

Clc1nccc(Nc2ccccc2)n1.Oc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.73
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
MAPT P10636 2/20 0.68
MAPK1 P28482 2/20 0.68
CHEK1 O14757 1/20 0.68
IKBKB O14920 1/20 0.68
PDPK1 O15530 1/20 0.68
CHEK2 O96017 1/20 0.68
PRKCG P05129 1/20 0.68
CDK1 P06493 1/20 0.68
LYN P07948 1/20 0.68
KIT P10721 1/20 0.68
PIM1 P11309 1/20 0.68
FGFR1 P11362 1/20 0.68
FGFR3 P22607 1/20 0.68
RPS6KB1 P23443 1/20 0.68
CDK2 P24941 1/20 0.68
MARK3 P27448 1/20 0.68
EPHA2 P29317 1/20 0.68

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
SCHEMBL5384269 0.92 AURKA (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL1321961 0.85 AURKA (1.00) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL3988183 0.84 AURKA (0.65) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL440486 0.82 AURKA (1.00) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL9647947 0.78 AURKA (0.72) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL4621303 0.77 NPC1 (0.87) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL31046257 0.76 AURKA (0.73) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL379222 0.76 AURKA (0.69) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL657019 0.76 SYK (0.70) AURKANPC1RAB9AMAPTMAPK1
SCHEMBL17915955 0.75 AURKA (0.78) AURKANPC1RAB9AMAPTMAPK1

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-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed