SCHEMBL16782402

SCHEMBL16782402

NC(=O)c1cnc(ON2NNc3ccccc32)nc1Nc1ccc2ncccc2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.63
▸ AURKB Q96GD4 1/20 0.40
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL16782310 0.83 SYK (0.59) SYKAURKB
SCHEMBL2717328 0.79 SYK (0.66) SYKAURKBMAPK8MAPK9NPC1
SCHEMBL2627261 0.78 SYK (1.00) SYKAURKBMAPK8MAPK9NPC1
SCHEMBL16202734 0.73 SYK (0.66) SYKAURKBMAPK8MAPK9NPC1
SCHEMBL2627366 0.71 SYK (0.62) SYKMAPK8MAPK9NPC1MEN1
SCHEMBL2716637 0.71 NPC1 (0.63) SYKMAPK8NPC1MEN1POLB
SCHEMBL13624991 0.69 SYK (0.68) SYKAURKBMAPK8
SCHEMBL18926157 0.69 SYK (0.57) SYKMAPK8NPC1MEN1POLB
SCHEMBL2713766 0.68 SYK (0.56) SYKMAPK8NPC1MEN1POLB
SCHEMBL14977622 0.68 SYK (0.83) SYKAURKBMAPK8MAPK9NPC1

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-2323993-B1 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARM INC (US) 2015-06-03 — — EP disclosed
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