SCHEMBL14980809

SCHEMBL14980809

COc1cc2c(cc1N)CN(C(=O)CCN1CCCCCC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 3/20 0.51
RYR2 Q92736 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP8 Q6V1X1 2/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2205732 0.89 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL2203800 0.87 HRH3 (0.58) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL2204698 0.82 KMT2A (0.53) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL3223071 0.80 POLB (0.64) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL2204025 0.79 KMT2A (0.54) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL17197305 0.78 MAPK1 (0.54) ALDH1A1KMT2ANPC1MAPTNPSR1
SCHEMBL31316090 0.78 MAPK1 (0.54) ALDH1A1KMT2ANPC1MAPTNPSR1
SCHEMBL17197259 0.78 MAPK1 (0.54) ALDH1A1KMT2ANPC1MAPTNPSR1
SCHEMBL11296161 0.78 MAPK1 (0.54) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL14925204 0.77 RAB9A (0.53) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1

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-2188292-B1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GLAXOSMITHKLINE IP DEV LTD (GB) 2013-05-29 EP disclosed