SCHEMBL6615342

SCHEMBL6615342

O=C1NCCNc2cnc(-c3ccccc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.42
HTR2C P28335 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PARP1 P09874 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38

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
SCHEMBL6638388 0.73 HTR2C (0.62) HTR2CMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5804166 0.69 CYP11B1 (0.42) ADKHTR2CKMT2ALMNAALDH1A1
SCHEMBL1750073 0.68 NPC1 (0.42) HTR2CMEN1KMT2ALMNAALDH1A1
SCHEMBL14380287 0.67 SMN1; SMN2 (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL17085177 0.65 L3MBTL1 (0.50) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL17085180 0.65 L3MBTL1 (0.50) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL874744 0.65 KMT2A (0.47) ADKHTR2CMEN1KMT2ALMNA
SCHEMBL5990731 0.64 ADORA1 (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL11281012 0.64 SMN1; SMN2 (0.50) ADKMEN1KMT2ALMNASMN1; SMN2
SCHEMBL24787166 0.63 HTR2C (0.47) HTR2CMEN1KMT2ALMNAALDH1A1

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