SCHEMBL30029495

SCHEMBL30029495

Cn1nc(Br)c2cccc(NCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NR2F2 P24468 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BACE1 P56817 3/20 0.41
▸ ACHE P22303 2/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ ACKR3 P25106 1/20 0.36

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
SCHEMBL24754834 1.00 DTYMK (0.43) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL30028551 0.79 DDB1 (0.49) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL24754189 0.79 DDB1 (0.49) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL24754836 0.78 DDB1 (0.59) DTYMK
SCHEMBL30030025 0.78 DDB1 (0.59) DTYMK
SCHEMBL24754832 0.76 TLR9 (0.40) DTYMKACHESIGMAR1
SCHEMBL30029738 0.76 TLR9 (0.40) DTYMKACHESIGMAR1
SCHEMBL16122889 0.74 DTYMK (0.49) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL4844156 0.72 GPR119 (0.55) DTYMKCHRM2CHRM4CHRM1CHRM3
SCHEMBL15337783 0.67 KRAS (0.47) DTYMKCHRM2CHRM4CHRM1CHRM3

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-2022266248-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-12-22 — — WO disclosed
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