SCHEMBL2966741

SCHEMBL2966741

COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc(Cl)c(C#N)c5)c5ccccc45)cc3)ccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 3/20 0.42
ENPP3 O14638 3/20 0.41
MEN1 O00255 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 1/20 0.41
RAF1 P04049 3/20 0.41
MAP2K1 Q02750 3/20 0.41
FGFR2 P21802 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CA9 Q16790 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2209145 0.91 MAPT (0.48) MAPTLMNATP53ENPP3MEN1
SCHEMBL2973076 0.89 MAPT (0.49) MAPTLMNATP53ENPP3MEN1
SCHEMBL2972776 0.88 MAPT (0.49) MAPTLMNATP53ENPP3MEN1
SCHEMBL15663474 0.88 MAPT (0.51) MAPTLMNATP53ENPP3MEN1
SCHEMBL2209628 0.87 MAPT (0.52) MAPTLMNATP53ENPP3MEN1
SCHEMBL2209836 0.87 MAPT (0.58) MAPTLMNATP53ENPP3MEN1
SCHEMBL2210282 0.87 CA9 (0.45) MAPTLMNATP53ENPP3MEN1
SCHEMBL2212027 0.87 MAPT (0.46) MAPTLMNATP53ENPP3MEN1
SCHEMBL15663476 0.86 MAPT (0.46) MAPTLMNATP53ENPP3MEN1
SCHEMBL2210745 0.86 MAPT (0.48) MAPTLMNATP53ENPP3MEN1

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
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US claimed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed