SCHEMBL12462546

SCHEMBL12462546

C#Cc1cccc(Nc2cnc3c(c2)OCCN3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.53
▸ EGFR P00533 11/20 0.48
▸ GAK O14976 2/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ BUB1 O43683 1/20 0.46
▸ STK10 O94804 1/20 0.46
▸ CARS1 P49589 1/20 0.46
▸ MAP3K1 Q13233 1/20 0.46
▸ PIP4K2C Q8TBX8 1/20 0.46
▸ SLK Q9H2G2 1/20 0.46
▸ TDO2 P48775 3/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ GAS6 Q14393 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL21382644 0.77 GRM5 (0.65) GRM5EGFRALOX5APFEN1
SCHEMBL12462373 0.75 GRM5 (0.44) GRM5ALOX5APFEN1
SCHEMBL12462022 0.73 GRM5 (0.57) GRM5ALOX5APFEN1KDR
SCHEMBL12462643 0.72 RET (0.49) GRM5ALOX5APFEN1
SCHEMBL15928191 0.71 EGFR (0.76) EGFRGAKRIPK2BUB1STK10
SCHEMBL12507810 0.70 GRM5 (0.46) GRM5EGFRGAKRIPK2BUB1
SCHEMBL12461953 0.68 GRM5 (0.57) GRM5ALOX5APFEN1PDGFRB
SCHEMBL13139105 0.68 ADRA2A (0.51) GRM5
SCHEMBL28907418 0.67 EGFR (0.73) EGFRGAKRIPK2BUB1STK10
SCHEMBL14376061 0.67 GRM5 (0.67) GRM5ALOX5APFEN1TNF

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
EP-2341052-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2011-07-06 — — EP disclosed
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