SCHEMBL15560710

SCHEMBL15560710

Cc1ccc(-n2cc(-c3cnn(Cc4cc(F)cc(F)c4)c3)c3cc(-c4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.40
▸ GRM5 P41594 7/20 0.40
▸ GRM1 Q13255 7/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 0.39
▸ KIT P10721 2/20 0.38

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
SCHEMBL15560711 0.91 GRM5 (0.43) TLR7GRM5GRM1KITCDK9
SCHEMBL17273339 0.89 HTR6 (0.43) TLR7GRM5GRM1KITCDK9
SCHEMBL15555711 0.80 HTR6 (0.45) TLR7GRM5GRM1KITCDK9
SCHEMBL15557674 0.78 HTR6 (0.47) TLR7GRM5GRM1KITCDK9
SCHEMBL15560991 0.76 ALK (0.40) KITALKGPR119
SCHEMBL15560709 0.76 JAK1 (0.41) TLR7GRM5GRM1CDK9WNT3A
SCHEMBL15555495 0.76 HTR6 (0.43) TLR7GRM5GRM1KITCDK9
SCHEMBL17273480 0.75 GPR119 (0.41) GPR119
SCHEMBL15599329 0.73 HTR6 (0.48) TLR7GRM5GRM1GABRPGABRD
SCHEMBL15555578 0.73 GPR119 (0.43) WNT3AGPR119

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
EP-2867233-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2015-05-06 — — EP disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 — — WO disclosed
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