SCHEMBL7969613

SCHEMBL7969613

Nc1nc2ccc(NCC3CC3)cc2n2c(-c3c(F)cccc3Cl)ncc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.38
SOS1 Q07889 2/20 0.37
PDE10A Q9Y233 1/20 0.35
CDK9 P50750 1/20 0.34
MAP4K1 Q92918 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DCPS Q96C86 1/20 0.33
LCK P06239 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
SCHEMBL7970474 0.91 LCK (0.39) PDE2APDE10ALCK
SCHEMBL7983671 0.88 MAP3K8 (0.46) PDE2ALMNAMAPK1HTT
SCHEMBL7969906 0.87 LCK (0.37) PDE2ALCK
SCHEMBL7979828 0.84 LCK (0.48) PDE2APDE10ALCK
SCHEMBL7970503 0.83 CAMK2D (0.43) PDE2ALCK
SCHEMBL7969691 0.82 NPC1 (0.39) PDE2APDE10ACDK9LCK
SCHEMBL7987029 0.82 LCK (0.45) PDE2APDE10ACDK9LCK
SCHEMBL7983613 0.82 LCK (0.51) PDE2ALMNAMAPK1LCK
SCHEMBL7982991 0.82 LCK (0.43) PDE2APDE10ACDK9LCK
SCHEMBL7983672 0.81 FGFR1 (0.53) 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