SCHEMBL31270902

SCHEMBL31270902

N[C@@H]1CCCN(Cc2ccnc(Br)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.41
USP30 Q70CQ3 1/20 0.41
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CXCR4 P61073 1/20 0.39
CYP2D6 P10635 2/20 0.38
ROCK1 Q13464 2/20 0.38
ROCK2 O75116 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE2A O00408 3/20 0.37
CYP2C9 P11712 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL15260364 0.81 SMN1; SMN2 (0.53) KDRCXCR4CYP2D6CYP1A2CYP2C19
SCHEMBL27196341 0.80 CYP3A4 (0.51) PIM1CYP2D6ROCK1ROCK2CYP3A4
SCHEMBL27196338 0.80 CYP3A4 (0.51) PIM1CYP2D6ROCK1ROCK2CYP3A4
SCHEMBL30508470 0.79 SMN1; SMN2 (0.56) CXCR4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL840568 0.79 SMN1; SMN2 (0.56) CXCR4CYP2D6CYP1A2CYP2C19ALDH1A1
SCHEMBL15260134 0.79 USP30 (0.46) USP30HCRTR1HCRTR2CXCR4PDE2A
SCHEMBL15260137 0.79 USP30 (0.46) USP30HCRTR1HCRTR2CXCR4PDE2A
SCHEMBL15260064 0.78 ALDH1A1 (0.46) USP30ALDH1A1
SCHEMBL29278105 0.78 SMN1; SMN2 (0.63) CYP2D6ROCK2CYP3A4CYP1A2CYP2C19
SCHEMBL30762161 0.78 SMN1; SMN2 (0.63) CYP2D6ROCK2CYP3A4CYP1A2CYP2C19

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-2024249950-A1 FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN BIOMEA FUSION, INC. (US) 2024-12-05 WO disclosed