SCHEMBL18488334

SCHEMBL18488334

CCc1ncc(Cl)c(NCCc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
KMT2A Q03164 1/20 0.40
IGF1R P08069 1/20 0.40
STK17A Q9UEE5 4/20 0.39
ALDH1A1 P00352 1/20 0.39
AKT3 Q9Y243 2/20 0.39
PTGDR Q13258 1/20 0.38
CCR4 P51679 3/20 0.38
CNR1 P21554 1/20 0.38
STK17B O94768 3/20 0.38
TAAR1 Q96RJ0 1/20 0.37
HPGD P15428 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL18488676 0.84 TAAR1 (0.46) GPR84KMT2ASTK17ASTK17BTAAR1
SCHEMBL18488333 0.84 GPR84 (0.46) GPR84KMT2AIGF1RSTK17AALDH1A1
SCHEMBL20668014 0.78 GPR84 (0.37) GPR84KMT2AALDH1A1AKT3PTGDR
SCHEMBL18488361 0.77 CYP2D6 (0.49) STK17ASTK17BTAAR1
SCHEMBL18488975 0.74 PGK1 (0.48) ALDH1A1TAAR1
SCHEMBL18492638 0.70 ALK (0.61) IGF1R
SCHEMBL9921326 0.68 HTT (0.44) GPR84KMT2AALDH1A1HPGD
SCHEMBL19700804 0.68 TP53 (0.61) KMT2AALDH1A1HPGD
SCHEMBL680436 0.67 TAAR1 (0.60) GPR84KMT2AALDH1A1CNR1TAAR1
SCHEMBL18488672 0.67 MEN1 (0.50) GPR84KMT2ASTK17ASTK17BTAAR1

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