SCHEMBL856987

SCHEMBL856987

O=C(O)CCc1cccc(-c2ccnc3[nH]cc(C(=O)c4ccc(Cl)cc4)c23)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
NPY5R Q15761 1/20 0.42
LRRK2 Q5S007 4/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
SYK P43405 4/20 0.40
FFAR1 O14842 2/20 0.40
TBXA2R P21731 1/20 0.39
PTGER1 P34995 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSPH1 Q92598 1/20 0.38
EGFR P00533 1/20 0.38
TBXAS1 P24557 1/20 0.37

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
SCHEMBL857026 0.82 LRRK2 (0.46) LRRK2SYKEGFR
SCHEMBL857689 0.82 PRKCI (0.53) LRRK2SYKEGFR
SCHEMBL857093 0.80 PPARG (0.49) PKMLRRK2SYKCYP2C9
SCHEMBL1362011 0.79 PIM2 (0.46) PKMLRRK2SYKEGFR
SCHEMBL1362007 0.79 PIM2 (0.46) PKMLRRK2SYKEGFR
SCHEMBL878789 0.79 EGFR (0.49) LRRK2SYKCYP3A4CYP2C9EGFR
SCHEMBL859126 0.79 CAMKK2 (0.46) LRRK2CYP3A4CYP2C9
SCHEMBL857947 0.77 CHUK (0.49) LRRK2CYP3A4CYP2C9EGFR
SCHEMBL857622 0.75 MAP4K4 (0.63) LRRK2SYK
SCHEMBL858550 0.72 BTK (0.52) LRRK2SYKCYP3A4

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-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed