SCHEMBL19785982

SCHEMBL19785982

N#Cc1c(Cl)cccc1NC(=O)c1cc(Br)c[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
MAPT P10636 3/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL19785829 0.84 TAS1R3 (0.46) KDRTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL19785950 0.84 TAS1R3 (0.45) KDRTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL19785828 0.80 KDR (0.52) KDRTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL19785768 0.79 PDCD1 (0.43) KDRTAS1R3TAS1R1TAS1R2CFTR
SCHEMBL19779682 0.78 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MAPTCXCR1
SCHEMBL396661 0.76 CFTR (0.63) CFTRMEN1NPC1KMT2A
SCHEMBL8203033 0.71 HSPD1 (0.56) KDRMAPTHPGDTP53KDM4E
SCHEMBL10767715 0.69 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MAPTCXCR1
SCHEMBL11791658 0.68 GPR35 (0.59) TAS1R3TAS1R1TAS1R2CXCR1CXCR2
SCHEMBL19779672 0.68 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2POLBCYP1A2

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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed