SCHEMBL2970072

SCHEMBL2970072

COc1cnc2c(Oc3c(F)cc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3F)ccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
MAPT P10636 5/20 0.42
LMNA P02545 1/20 0.42
ENPP3 O14638 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PDE5A O76074 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE1C Q14123 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
SCHEMBL15663686 0.91 MAPT (0.46) KDRMAPTLMNAENPP3MEN1
SCHEMBL2209628 0.88 MAPT (0.52) KDRMAPTLMNAENPP3MEN1
SCHEMBL15663770 0.86 MAPT (0.49) KDRMAPTLMNAENPP3MEN1
SCHEMBL2207808 0.86 KDR (0.47) KDRMAPTLMNAENPP3MEN1
SCHEMBL2212027 0.85 MAPT (0.46) KDRMAPTLMNAENPP3MEN1
SCHEMBL2210186 0.84 MAPT (0.46) KDRMAPTLMNAENPP3MEN1
SCHEMBL15663950 0.84 MAPT (0.48) KDRMAPTLMNAENPP3MEN1
SCHEMBL15663349 0.84 MAPT (0.48) KDRMAPTLMNAENPP3MEN1
SCHEMBL15663540 0.84 FGFR2 (0.41) KDRMAPTLMNAENPP3MEN1
SCHEMBL2210397 0.83 MAPT (0.52) KDRMAPTLMNAENPP3MEN1

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