SCHEMBL7225665

SCHEMBL7225665

COc1cccc(-c2cnc3nc(C)ccn23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.58
GABRG2 P18507 3/20 0.58
GABRB3 P28472 3/20 0.58
GABRA3 P34903 2/20 0.58
GABRA5 P31644 1/20 0.58
GABRA2 P47869 1/20 0.58
SRC P12931 2/20 0.47
CKS1B P61024 1/20 0.46
SKP2 Q13309 1/20 0.46
RIPK2 O43353 1/20 0.45
FLT3 P36888 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DYRK1A Q13627 1/20 0.43

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
SCHEMBL7224413 0.82 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7225443 0.81 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7234152 0.81 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7227602 0.78 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7232228 0.77 GABRG2 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7224559 0.76 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7231846 0.75 GABRG2 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7231394 0.75 GABRG2 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7226136 0.74 L3MBTL1 (0.56) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL5263795 0.73 AKT1 (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A

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-6642229-B2 Treatment of adverse neurological conditions MERCK SHARP & DOHME LTD. 2003-11-04 US disclosed