SCHEMBL7968762

SCHEMBL7968762

Bc1cnc2[nH]cc(C(=O)OCC)c2c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AXL P30530 5/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NUDT1 P36639 1/20 0.48
JAK2 O60674 10/20 0.44
JAK3 P52333 10/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL12829916 0.84 AXL (0.37) AXLMEN1KMT2ANUDT1JAK2
SCHEMBL12409372 0.84 GABRA1 (0.53) AXLMEN1KMT2ANUDT1JAK2
SCHEMBL12657427 0.80 PIK3CA (0.46) AXL
SCHEMBL7971778 0.80 AXL (0.56) AXLMEN1KMT2ANUDT1JAK2
SCHEMBL14002174 0.76 BTK (0.42) AXLCYP3A4CYP2C19
SCHEMBL8469861 0.76 AXL (0.39) AXL
SCHEMBL8443770 0.76 BTK (0.40) MEN1KMT2ACYP3A4
SCHEMBL20780788 0.75 KDM4E (0.49) MEN1KMT2AALDH1A1
SCHEMBL7956049 0.75 MAP2K1 (0.74) MEN1KMT2ANUDT1JAK2JAK3
SCHEMBL21701301 0.74 JAK3 (0.46) AXLMEN1KMT2ANUDT1JAK3

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-2010020308-A1 7-AZAINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed