SCHEMBL28529601

SCHEMBL28529601

Oc1cccc(-c2cnccn2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.69
HSD17B2 P37059 9/20 0.69
PIM2 Q9P1W9 1/20 0.54
FYN P06241 5/20 0.50
METAP2 P50579 1/20 0.50
CHEK1 O14757 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP19A1 P11511 1/20 0.46
CDC7 O00311 1/20 0.46

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
SCHEMBL30186301 1.00 HSD17B1 (0.69) HSD17B1HSD17B2PIM2FYNMETAP2
SCHEMBL30186340 1.00 HSD17B1 (0.69) HSD17B1HSD17B2PIM2FYNMETAP2
SCHEMBL21290740 0.84 PIM2 (0.55) HSD17B1HSD17B2PIM2CYP3A4CYP2C9
SCHEMBL1180306 0.82 HSD17B1 (1.00) HSD17B1HSD17B2FYNMETAP2CHEK1
SCHEMBL27519625 0.79 PIM2 (0.55) PIM2METAP2CYP19A1
SCHEMBL21322286 0.79 PIM2 (0.55) PIM2METAP2CYP19A1
SCHEMBL4775152 0.79 KMO (0.68) PIM2CHEK1
SCHEMBL10353415 0.78 IDO1 (0.50) PIM2FYNCYP19A1
SCHEMBL4707361 0.78 MEN1 (0.59) PIM2METAP2
SCHEMBL8382341 0.78 PIM2 (0.50) PIM2

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
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN claimed
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN disclosed