SCHEMBL30501492

SCHEMBL30501492

COc1ccc(N2CCOCC2)cc1NC(=O)c1csc(Br)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.59
▸ IRAK1 P51617 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PTK2 Q05397 1/20 0.45
▸ ULK1 O75385 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44

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
SCHEMBL20598291 1.00 IRAK4 (0.59) IRAK4IRAK1KMT2AMEN1MAPT
SCHEMBL20598157 0.85 IRAK4 (0.65) IRAK4IRAK1KMT2AMEN1MAPT
SCHEMBL20598761 0.84 IRAK4 (0.59) IRAK4IRAK1KMT2AMEN1MAPT
SCHEMBL30501503 0.84 IRAK4 (0.59) IRAK4IRAK1KMT2AMEN1MAPT
SCHEMBL20598729 0.82 CSF1R (0.49) IRAK4KMT2AMEN1MAPTALDH1A1
SCHEMBL20598523 0.81 NTRK1 (0.56) IRAK4KMT2AMEN1MAPT
SCHEMBL30501370 0.78 NPC1 (0.65) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL20598315 0.78 NPC1 (0.65) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL16106421 0.78 MAPT (0.58) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL20598629 0.76 IRAK4 (0.63) IRAK4IRAK1KMT2AMEN1MAPT

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
Send feedback