SCHEMBL30501503

SCHEMBL30501503

COc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(Br)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.59
▸ IRAK1 P51617 1/20 0.59
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ FLT3 P36888 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ BCL6 P41182 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PTK2 Q05397 2/20 0.47
▸ ULK1 O75385 1/20 0.47
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL20598761 1.00 IRAK4 (0.59) IRAK4IRAK1MEN1KMT2AFLT3
SCHEMBL20598291 0.84 IRAK4 (0.59) IRAK4IRAK1MEN1KMT2AMAPT
SCHEMBL30501492 0.84 IRAK4 (0.59) IRAK4IRAK1MEN1KMT2AMAPT
SCHEMBL20598482 0.82 PIM1 (0.51) IRAK4IRAK1MAPTALDH1A1NPC1
SCHEMBL30501501 0.82 PIM1 (0.51) IRAK4IRAK1MAPTALDH1A1NPC1
SCHEMBL20598629 0.82 IRAK4 (0.63) IRAK4IRAK1MEN1KMT2AFLT3
SCHEMBL30501448 0.80 NTRK1 (0.57) IRAK4IRAK1MEN1KMT2AMAPT
SCHEMBL20598735 0.80 NTRK1 (0.57) IRAK4IRAK1MEN1KMT2AMAPT
SCHEMBL20598315 0.78 NPC1 (0.65) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL30501370 0.78 NPC1 (0.65) MEN1KMT2AMAPTALDH1A1PKM

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
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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