SCHEMBL29434180

SCHEMBL29434180

O=C(CBr)c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PIK3CB P42338 4/20 0.42
PIK3CD O00329 3/20 0.42
AKT1 P31749 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 1/20 0.42
KMO O15229 1/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL242170 0.83 KMO (0.56) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL24766030 0.82 KMT2A (0.47) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL24766039 0.81 MAPT (0.47) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL241043 0.78 PIK3CB (0.57) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL244072 0.78 PIK3CA (0.47) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL29434078 0.78 PIK3CA (0.47) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL8925427 0.78 GSK3B (0.52) GSK3BPIK3CBPIK3CDPIK3CAKMO
SCHEMBL17204101 0.77 MAPT (0.61) TSHRMAPTCYP1A2CYP2D6PIK3CB
SCHEMBL24766006 0.77 ALDH1A1 (0.48) USP2TSHRTDP1MAPTCYP1A2
SCHEMBL24766029 0.74 PTGS2 (0.47) USP2TSHRTDP1MAPTCYP1A2

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-2022060996-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-03-24 WO disclosed