SCHEMBL19462890

SCHEMBL19462890

Nc1ccc(-c2cc3c(N4CCNCC4)ccnn3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
ACVR1 Q04771 3/20 0.41
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
ACVR1B P36896 2/20 0.41
ACVRL1 P37023 2/20 0.41
KIT P10721 1/20 0.40
BMP4 P12644 1/20 0.40
NCF1 P14598 2/20 0.39
ADRB2 P07550 1/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 4/20 0.37
KHK P50053 2/20 0.37
KDR P35968 1/20 0.37
TGFBR1 P36897 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
ITGA2B P08514 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL19482443 0.81 RET (0.41) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL19459259 0.80 LIPG (0.43) RETACVR1KITBMP4NCF1
SCHEMBL19486469 0.79 BMP4 (0.46) RETACVR1BMPR1BBMPR1AACVR1B
SCHEMBL21678301 0.79 KIT (0.38) RETKIT
SCHEMBL21679943 0.78 KIT (0.40) RETKITMAP4K4
SCHEMBL30572725 0.78 RET (0.49) RETACVR1KITNCF1TGFBR1
SCHEMBL19459081 0.78 RET (0.41) RETACVR1KITBMP4NCF1
SCHEMBL19458941 0.77 KIT (0.37) RETKITMAP4K4
SCHEMBL19458940 0.77 ALDH1A1 (0.44) RETKIT
SCHEMBL19459153 0.77 RET (0.40) RETACVR1BMPR1BBMPR1AACVR1B

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
EP-3442977-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE Blueprint Medicines Corporation (US) 2019-02-20 EP disclosed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 WO disclosed