SCHEMBL6616746

SCHEMBL6616746

c1ccc(-c2cnc3c(c2)CNCCN3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.57
CDK8 P49336 3/20 0.51
CHEK1 O14757 2/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
RET P07949 2/20 0.51
PIM1 P11309 2/20 0.51
KDR P35968 2/20 0.51
FLT3 P36888 2/20 0.51
GSK3A P49840 2/20 0.51
GSK3B P49841 2/20 0.51
RPS6KA3 P51812 2/20 0.51
LIMK1 P53667 2/20 0.51
CDK5 Q00535 2/20 0.51
MAP4K2 Q12851 2/20 0.51
AURKB Q96GD4 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
ABL1 P00519 1/20 0.51

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
SCHEMBL8385558 0.82 ASIC3 (0.61) ASIC3CDK8CHEK1PRKD3MAP4K4
SCHEMBL726724 0.73 ASIC3 (0.44) ASIC3DYRK1AGRM5KMT2A
SCHEMBL6625069 0.72 KDM4E (0.62) ASIC3CLK4TYRO3NTRK2DYRK1B
SCHEMBL6614623 0.72 MAP4K4 (0.51) CDK8CHEK1PRKD3MAP4K4RET
SCHEMBL30806877 0.71 CD44 (0.42) ASIC3GRM5HTR2CSMN1; SMN2
SCHEMBL6618255 0.71 CD44 (0.42) ASIC3GRM5HTR2CSMN1; SMN2
SCHEMBL18801624 0.70 ASIC3 (0.41) ASIC3GRM5
SCHEMBL8385317 0.69 ASIC3 (0.57) ASIC3GRM5PIK3CDCYP3A4PIK3C3
SCHEMBL5873863 0.68 KDR (1.00) CDK8CHEK1PRKD3MAP4K4RET
SCHEMBL23085273 0.67 GSK3B (0.49) CDK8CHEK1PRKD3MAP4K4RET

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed