SCHEMBL27802483

SCHEMBL27802483

Clc1cc[c]c(-n2cnnn2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.49
F2 P00734 1/20 0.49
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
KCNJ1 P48048 1/20 0.35

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
SCHEMBL2892075 0.74 NOTUM (0.59) NOTUMF2MEN1KMT2AMAPT
SCHEMBL1197728 0.74 NOTUM (0.55) NOTUMF2MEN1KMT2AMAPT
SCHEMBL184324 0.73 NOTUM (0.52) NOTUMF2KMT2AMAPTLMNA
SCHEMBL3819681 0.71 NOTUM (0.61) NOTUMF2MEN1KMT2ALMNA
SCHEMBL9872640 0.70 CYP19A1 (0.35)
SCHEMBL11117017 0.68 NOTUM (0.56) NOTUMF2MEN1KMT2A
SCHEMBL16054650 0.67
SCHEMBL23466554 0.66 NOTUM (0.53) NOTUMF2KMT2ALMNA
SCHEMBL3009848 0.66 NOTUM (0.53) NOTUMF2MEN1KMT2AMAPT
SCHEMBL1460681 0.66 NOTUM (0.53) NOTUMF2KMT2AMAPTLMNA

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
CN-101959516-A Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2011-01-26 CN disclosed