SCHEMBL7983674

SCHEMBL7983674

Nc1nc2c(-c3c(F)cccc3Cl)cc(NCC3CCCO3)cc2n2cncc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CCNT1 O60563 3/20 0.39
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TNK2 Q07912 6/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAP3K8 P41279 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 2/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
LCK P06239 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL7982214 0.92 ALDH1A1 (0.40) ALDH1A1LMNACCNT1GAATNK2
SCHEMBL7969619 0.87 LCK (0.37) CCNT1LCK
SCHEMBL7983616 0.80 LCK (0.51) ALDH1A1LMNACCNT1KDM4EMAP3K8
SCHEMBL7970478 0.80 LCK (0.41) LCK
SCHEMBL7970506 0.79 RAD52 (0.39) KMT2ALCKMEN1
SCHEMBL7969910 0.79 LCK (0.40) CCNT1LCK
SCHEMBL7980019 0.79 LCK (0.52) MAP3K8MAPTPOLBLCK
SCHEMBL7979832 0.79 LCK (0.49) LCK
SCHEMBL7969694 0.78 LCK (0.38) CCNT1LCK
SCHEMBL7987033 0.77 LCK (0.49) CCNT1KDM4ELCK

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