SCHEMBL16339983

SCHEMBL16339983

NC(=O)c1cc2c(N)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
RHEB Q15382 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 1/20 0.41
CHRNA7 P36544 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL31156446 1.00 HRH4 (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL27518065 0.86 KDM4E (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL922207 0.82 HRH4 (0.55) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL8210176 0.82 RHEB (0.43) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL30295665 0.81 FLT3 (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL924331 0.81 FLT3 (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL20505087 0.81 FLT3 (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL15511675 0.81 FLT3 (0.57) HRH4RHEBKDM4EALDH1A1HSD17B10
SCHEMBL8655451 0.80 HRH4 (0.56) HRH4KDM4EALDH1A1HSD17B10MEN1
SCHEMBL20761800 0.79 FLT3 (0.63) HRH4FLT3PDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 EP disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 WO disclosed