SCHEMBL7983671

SCHEMBL7983671

Nc1nc2ccc(NCC3CCCO3)cc2n2c(-c3c(F)cccc3Cl)ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TNK2 Q07912 9/20 0.41
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
PDE2A O00408 2/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCNT1 O60563 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7982210 0.93 MAP3K8 (0.42) MAP3K8ALDH1A1LMNATNK2KMT2A
SCHEMBL7969613 0.88 PDE2A (0.38) LMNAPDE2AHTTMAPK1
SCHEMBL7983613 0.81 LCK (0.51) MAP3K8ALDH1A1LMNAPDE2AHIF1A
SCHEMBL7970474 0.81 LCK (0.39) PDE2A
SCHEMBL7970503 0.80 CAMK2D (0.43) KMT2APDE2AMEN1
SCHEMBL7969906 0.80 LCK (0.37) BACE1KMT2APDE2AMEN1CCNT1
SCHEMBL7980015 0.79 LCK (0.52) MAP3K8PDE2APOLBMAPT
SCHEMBL7979828 0.79 LCK (0.48) PDE2A
SCHEMBL7987029 0.78 LCK (0.45) PDE2A
SCHEMBL7969691 0.78 NPC1 (0.39) PDE2ACCNT1

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