SCHEMBL7980759

SCHEMBL7980759

Cc1cc(C)c(Nc2nc3ccc(Cl)cc3n3cnc(P(=O)(O)O)c23)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 6/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.37
SRC P12931 1/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36

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
SCHEMBL7982142 0.92 LCK (0.41) LCKTP53MAPTSRCRAPGEF4
SCHEMBL7970605 0.88 KMT2A (0.42) LCKKMT2AMEN1TP53POLB
SCHEMBL7983562 0.88 LCK (0.39) LCKTP53MAPTPTPN1
SCHEMBL7979942 0.87 LCK (0.56) LCKKMT2ATP53POLBRAB9A
SCHEMBL7980350 0.84 LCK (0.45) LCK
SCHEMBL7969561 0.81 LCK (0.41) LCKTP53MAPTSRC
SCHEMBL7979769 0.80 LCK (0.39) LCKKMT2AMEN1POLBRAB9A
SCHEMBL7979950 0.80 LCK (0.52) LCK
SCHEMBL7980178 0.78 LCK (0.55) LCKKMT2ATP53MAPTSRC
SCHEMBL7979667 0.76 LCK (0.59) LCK

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