SCHEMBL4380433

SCHEMBL4380433

CC1CCC(C)N1c1cccc(C(F)(F)F)c1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
HTR2C P28335 7/20 0.32
HTR2B P41595 7/20 0.32
HTR2A P28223 5/20 0.32

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
SCHEMBL3732573 0.87 PTPN1 (0.38) PTPN1HTR2CHTR2BHTR2A
SCHEMBL3742273 0.86 PTPN1 (0.36) PTPN1HTR2CHTR2BHTR2A
SCHEMBL3732060 0.84 PTPN1 (0.52) PTPN1HTR2CHTR2BHTR2A
SCHEMBL4374699 0.84 PTPN1 (0.44) PTPN1HTR2CHTR2BHTR2A
SCHEMBL4374731 0.83 PTPN1 (0.54) PTPN1HTR2B
SCHEMBL3732360 0.82 PTPN1 (0.45) PTPN1HTR2CHTR2BHTR2A
SCHEMBL4381212 0.82 PTPN1 (0.43) PTPN1
SCHEMBL4374330 0.81 PTPN1 (0.42) PTPN1HTR2CHTR2BHTR2A
SCHEMBL4376462 0.81 PTPN1 (0.42) PTPN1HTR2CHTR2BHTR2A
SCHEMBL4389725 0.81 PTPN1 (0.43) PTPN1

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-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed