SCHEMBL7970506

SCHEMBL7970506

CN1CCCC1CCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
ACP1 P24666 1/20 0.38
CAMK2D Q13557 1/20 0.36
CHRM3 P20309 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
SLC2A1 P11166 1/20 0.35
LCK P06239 4/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
NMT1 P30419 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7980193 0.93 LCK (0.39) RAD52ACP1CAMK2DNPC1RAB9A
SCHEMBL7969619 0.83 LCK (0.37) LCK
SCHEMBL7983677 0.82 FGFR1 (0.50) LCK
SCHEMBL7979832 0.81 LCK (0.49) LCK
SCHEMBL7983616 0.81 LCK (0.51) NPC1RAB9ALCK
SCHEMBL7987033 0.80 LCK (0.49) LCK
SCHEMBL7980019 0.79 LCK (0.52) LCK
SCHEMBL7983674 0.79 ALDH1A1 (0.41) LCKMEN1KMT2A
SCHEMBL7982995 0.79 LCK (0.47) LCK
SCHEMBL7969694 0.79 LCK (0.38) NPC1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed