SCHEMBL30933641

SCHEMBL30933641

O=C(Nc1cccc(Br)c1)Nc1nc2ccccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.73
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NTRK1 P04629 1/20 0.65
NTRK2 Q16620 1/20 0.65
KDR P35968 1/20 0.60
TEK Q02763 1/20 0.60
POLB P06746 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
CYP3A4 P08684 1/20 0.55
LMNA P02545 1/20 0.55
ITGB3 P05106 3/20 0.54
ITGAV P06756 3/20 0.54
STING1 Q86WV6 1/20 0.54
PKM P14618 1/20 0.52

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
SCHEMBL30933644 0.85 MTOR (0.70) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL11423733 0.85 MTOR (0.73) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933642 0.85 MTOR (0.73) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933628 0.85 MTOR (1.00) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL27093076 0.85 MTOR (0.73) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933648 0.85 MTOR (0.73) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933646 0.85 MTOR (0.73) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL23566380 0.83 NPC1 (0.75) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933639 0.82 MTOR (0.69) MTORNPC1RAB9AMEN1KMT2A
SCHEMBL30933637 0.81 RAB9A (0.69) MTORNPC1RAB9AMEN1KMT2A

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
WO-2024128568-A1 BENZIMIDAZOLYLUREA DERIVATIVE AND PHARMACEUTICAL USE THEREOF 경북대학교 산학협력단 2024-06-20 WO disclosed