SCHEMBL624102

SCHEMBL624102

COC(=O)c1sc2c(c1N)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
NR1H2 P55055 2/20 0.40
MKNK1 Q9BUB5 5/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
P2RX3 P56373 2/20 0.35
PRKCI P41743 1/20 0.35
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 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
SCHEMBL622747 0.89 ADORA1 (0.52) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL20665903 0.89 ADORA1 (0.61) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL20665856 0.87 ADORA1 (0.53) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL623301 0.83 MAPT (0.49) ADORA1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL18034681 0.82 ADORA1 (0.61) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL7796803 0.77 ADORA1 (0.55) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL7794277 0.77 ADORA1 (0.55) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL9139042 0.75 ADORA1 (0.47) ADORA1KDM4EMAPTNR1H2MKNK1
SCHEMBL622511 0.74 NR1H2 (0.36) ADORA1KDM4EMAPTNR1H2ALDH1A1
SCHEMBL13739529 0.74 ADORA1 (0.78) ADORA1KDM4EMAPTNR1H2MKNK1

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-2012020227-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-02-16 WO disclosed