SCHEMBL9876930

SCHEMBL9876930

Cc1ccc2c(-c3ccccc3)nn(-c3cccc(O)c3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
GAA P10253 3/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
PDE2A O00408 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
NT5E P21589 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
SCHEMBL9876890 0.80 PTGER1 (0.50) CCNE1CDK2MEN1KMT2AGAA
SCHEMBL9876889 0.76 CCNE1 (0.46) CCNE1CDK2MEN1KMT2AGAA
SCHEMBL9877134 0.74 TP53 (0.36) MEN1KMT2AGAAMAPTPOLB
SCHEMBL9876850 0.72 MAPT (0.47) CCNE1CDK2MEN1KMT2AGAA
SCHEMBL14132947 0.71 ALDH1A1 (0.56) CDK2MEN1KMT2AGAAMAPT
SCHEMBL9876720 0.69 CDK2 (0.46) CCNE1CDK2MEN1KMT2AMAPT
SCHEMBL9876798 0.69 CDK2 (0.51) CCNE1CDK2MEN1KMT2AGAA
SCHEMBL11093684 0.69 OPRD1 (0.46) CCNE1CDK2MEN1KMT2AGAA
SCHEMBL23401122 0.68 RPA1 (0.52) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL21208570 0.68 SMN1; SMN2 (0.51) MEN1KMT2AMAPTPOLBALDH1A1

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
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed