SCHEMBL30280469

SCHEMBL30280469

COCC1CCCN(Cc2ccc(-c3cnc4c(c3)c(-c3ccc(OC)nc3)cn4S(=O)(=O)c3ccc(C)cc3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.40
KCNH2 Q12809 2/20 0.39
MAPK1 P28482 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
POLB P06746 1/20 0.37
RET P07949 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 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
SCHEMBL30280401 0.94 PTPN11 (0.45) PTPN11MAOAMAOBCHEK1CHEK2
SCHEMBL30280423 0.94 PTPN11 (0.43) PTPN11MAOAMAOBCHEK1CHEK2
SCHEMBL30280479 0.91 PTPN11 (0.46) PTPN11CHEK1KCNH2MAPK1HTR6
SCHEMBL31396631 0.91 PTPN11 (0.45) PTPN11MAOAMAOBCHEK1KCNH2
SCHEMBL31396598 0.91 PTPN11 (0.45) PTPN11CHEK1KCNH2MAPK1HTR6
SCHEMBL31396546 0.88 PTPN11 (0.47) PTPN11CHEK1KCNH2CD274HTR6
SCHEMBL31396592 0.86 PTPN11 (0.48) PTPN11CHEK1KCNH2CD274HTR6
SCHEMBL31396601 0.86 PTPN11 (0.48) PTPN11CHEK1KCNH2HTR6KDR
SCHEMBL31396593 0.86 PTPN11 (0.49) PTPN11CHEK1KCNH2HTR6KDR
SCHEMBL31396539 0.84 PTPN11 (0.49) PTPN11CHEK1KCNH2KDRTEK

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
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed