SCHEMBL15664102

SCHEMBL15664102

COc1cnc2c(Oc3ccc(Nc4nnc(-c5ccc6c(c5)OCCO6)c5ccccc45)cc3)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 3/20 0.44
ENPP3 O14638 2/20 0.43
MEN1 O00255 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
FGFR2 P21802 1/20 0.42
CA9 Q16790 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL2210655 0.95 MAPT (0.47) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL2211813 0.92 MAPT (0.43) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL2209836 0.89 MAPT (0.58) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL15663810 0.89 MAPT (0.48) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL15663346 0.88 MAPT (0.44) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL2204168 0.87 MAPT (0.53) MAPTLMNAALDH1A1TP53ENPP3
SCHEMBL15664092 0.87 MAPT (0.51) MAPTLMNANPSR1ALDH1A1TP53
SCHEMBL15663536 0.87 MAPT (0.53) MAPTLMNAALDH1A1TP53ENPP3
SCHEMBL2965227 0.87 CA9 (0.55) MAPTLMNANPSR1ALDH1A1CYP3A4
SCHEMBL2210753 0.87 MAPT (0.48) MAPTLMNANPSR1ALDH1A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed