SCHEMBL18488674

SCHEMBL18488674

Cc1ncc(Cl)c(NCCCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.48
HPGD P15428 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
STK17A Q9UEE5 3/20 0.46
TP53 P04637 2/20 0.46
STK17B O94768 1/20 0.46
POLB P06746 1/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MAPT P10636 1/20 0.44
TMIGD3 P0DMS9 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL24255306 0.92 APP (0.50) TP53MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL18488673 0.86 APP (0.50) CTSCHPGDPIK3CDPIK3R1STK17A
SCHEMBL25669146 0.78 STK17A (0.48) STK17ASTK17BTLR8
SCHEMBL18487897 0.78 CCND3 (0.41) STK17ATP53STK17BMAPT
SCHEMBL18488449 0.77 HDAC3 (0.45) STK17ASTK17BPOLBMAPT
SCHEMBL29555879 0.77 APP (0.60) STK17ATP53STK17BMAPTCYP1A2
SCHEMBL18488360 0.77 APP (0.60) STK17ATP53STK17BMAPTCYP1A2
SCHEMBL17035558 0.76 TLR8 (0.54) TP53TLR8TLR7
SCHEMBL18488361 0.75 CYP2D6 (0.49) STK17ATP53STK17BMAPTTMIGD3
SCHEMBL18488325 0.74 HDAC3 (0.40) STK17ATP53STK17BMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023899-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2017-02-09 WO disclosed