SCHEMBL16112700

SCHEMBL16112700

CC1CN(C(=O)O)CC(C)N1c1ccc(-c2cnc3c(Br)cnn3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DYRK3 O43781 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
CDK1 P06493 1/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 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
SCHEMBL16112488 0.88 PRKAB1 (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16111471 0.86 RET (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16111470 0.86 RET (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17531621 0.82 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16111472 0.81 BMPR1A (0.41) GSK3BDYRK1AACVR1BMPR1AACVR1B
SCHEMBL16112446 0.79 ACVR1B (0.74) PRKAB1KDRACVR1BMPR1AACVR1B
SCHEMBL16111725 0.78 ACVRL1 (0.74) PRKAB1KDRACVR1BMPR1AACVR1B
SCHEMBL16112455 0.76 AKR1C3 (0.42) FGFR1ACVR1BMPR1AACVRL1CNR2
SCHEMBL16112341 0.75 PLK4 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19611368 0.75 PLK4 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-2970311-A2 BMP INHIBITORS AND METHODS OF USE THEREOF The Brigham and Women's Hospital, Inc. (US) 2016-01-20 EP disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed