SCHEMBL7970474

SCHEMBL7970474

Cc1cccc(Cl)c1-c1ncc2c(N)nc3ccc(NCC4CC4)cc3n12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.39
PDE2A O00408 10/20 0.36
ERN1 O75460 1/20 0.34
PDE10A Q9Y233 2/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
ABL1 P00519 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
SCHEMBL7969906 0.95 LCK (0.37) LCKPDE2A
SCHEMBL7969613 0.91 PDE2A (0.38) LCKPDE2APDE10A
SCHEMBL7982210 0.88 MAP3K8 (0.42) LCKFGFR1ABL1
SCHEMBL7983062 0.88 LCK (0.50) LCKPDE2AFGFR1KDR
SCHEMBL7983558 0.84 LCK (0.39) LCKPDE2AFGFR1
SCHEMBL7983240 0.84 PDE2A (0.43) LCKPDE2APDE10AFGFR1ABL1
SCHEMBL7979955 0.83 LCK (0.54) LCKPDE2AFGFR1KDR
SCHEMBL7980189 0.83 CAMK2D (0.44) LCKFGFR1KDR
SCHEMBL7984047 0.82 LCK (0.37) LCKPDE2AFGFR1
SCHEMBL7983648 0.81 LCK (0.57) LCKPDE2AFGFR1KDR

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 2 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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed