SCHEMBL4384856

SCHEMBL4384856

CN1C(N)=Nc2nc(-c3c(F)cccc3N3CCCC(CN)C3)ccc2C1N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
PIM1 P11309 10/20 0.39
PIM2 Q9P1W9 9/20 0.39
PIM3 Q86V86 7/20 0.39
PTPN11 Q06124 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.34
PBK Q96KB5 1/20 0.33
BPTF Q12830 1/20 0.32
RET P07949 2/20 0.32
ATR Q13535 1/20 0.32
KCNH2 Q12809 1/20 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
SCHEMBL3732356 0.87 PTPN1 (0.49) PTPN1PIM1PIM2PIM3
SCHEMBL3732567 0.86 PTPN1 (0.48) PTPN1PIM1PIM2PIM3
SCHEMBL4382742 0.82 HRH4 (0.42) PTPN1
SCHEMBL4378451 0.81 PTPN1 (0.41) PTPN1PIM1PIM2PIM3
SCHEMBL3732271 0.81 PTPN1 (0.41) PTPN1
SCHEMBL3727498 0.78 F2RL3 (0.33) PTPN1PIM1PIM2PIM3
SCHEMBL4375700 0.78 KDM4E (0.39) PTPN1
SCHEMBL3732060 0.74 PTPN1 (0.52) PTPN1
SCHEMBL3746931 0.73 CYP1A2 (0.33) PTPN1
SCHEMBL4386872 0.73 MCHR1 (0.36) PIM1PIM2PIM3

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