SCHEMBL3459792

SCHEMBL3459792

COc1nccc(Cl)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(CCN1CCSCC1(O)O)C3=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CARM1 Q86X55 1/20 0.32
NTRK1 P04629 2/20 0.31
ACVRL1 P37023 2/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
ROS1 P08922 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
RHEB Q15382 1/20 0.30

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
SCHEMBL1350206 0.80 CARM1 (0.36) PRKAG1PRKAA1PRKAB1CARM1NTRK1
SCHEMBL774043 0.80 NTRK1 (0.36) PRKAG1PRKAA1PRKAB1CARM1NTRK1
SCHEMBL773567 0.80 CARM1 (0.36) PRKAG1PRKAA1PRKAB1CARM1NTRK1
SCHEMBL441643 0.79 RHEB (0.40) PRKAG1PRKAA1PRKAB1CARM1MEN1
SCHEMBL14733128 0.79 NTRK1 (0.46) PRKAG1PRKAA1PRKAB1CARM1NTRK1
SCHEMBL12138391 0.78 HRH3 (0.36) PRKAG1PRKAA1PRKAB1CARM1
SCHEMBL12135912 0.78 HRH3 (0.36) PRKAG1PRKAA1PRKAB1CARM1
SCHEMBL768315 0.78 HRH3 (0.36) PRKAG1PRKAA1PRKAB1CARM1
SCHEMBL441580 0.76 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1NTRK1ACVRL1
SCHEMBL450332 0.76 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1NTRK1ACVRL1

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-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed