SCHEMBL12428910

SCHEMBL12428910

COc1cc2c(cc1N)N(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SLC6A4 P31645 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL22049279 0.85 MEN1 (0.59) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL21468535 0.82 S100B (0.38) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL10229442 0.81 HTR2C (0.40) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL2571297 0.80 MAOB (0.65) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL3439485 0.79 MAOB (0.49) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL24869723 0.78 MEN1 (0.77) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL30875685 0.78 MEN1 (0.77) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL13928803 0.77 AR (0.52) MEN1KMT2AGAASMN1; SMN2MAOA
SCHEMBL2207784 0.76 NOTUM (0.57) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL29963196 0.76 NOTUM (0.57) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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
US-7981903-B2 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-07-19 US disclosed