SCHEMBL14031024

SCHEMBL14031024

Cn1cc(-c2ccoc2)c2cc(C#N)cnc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.39
LRRK2 Q5S007 13/20 0.38
ELANE P08246 1/20 0.36
CHEK1 O14757 1/20 0.36
CDC7 O00311 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL14031030 0.80 IMPDH2 (0.50) IMPDH2CYP1A2ALOX15MEN1CYP3A4
SCHEMBL1487601 0.76 BRD4 (0.41) IMPDH2CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL13745858 0.74 PTGER4 (0.34) IMPDH2CYP1A2MEN1CYP3A4CYP2D6
SCHEMBL14031036 0.73 IMPDH2 (0.46) IMPDH2CYP1A2ALOX15MEN1CYP3A4
SCHEMBL8318457 0.73 CDK8 (0.63) IMPDH2LRRK2CHEK1CDK2
SCHEMBL14031044 0.72 IMPDH2 (0.42) IMPDH2CYP1A2ALOX15MEN1CYP3A4
SCHEMBL23928899 0.72 HTT (0.45) MEN1KMT2APTGER4ALDH1A1
SCHEMBL14031125 0.72 BRD4 (0.47) PTGER4LRRK2ALDH1A1
SCHEMBL23452230 0.72 PTGER4 (0.43) PTGER4LRRK2ALDH1A1
SCHEMBL31020829 0.72 HTT (0.45) MEN1KMT2APTGER4ALDH1A1

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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed