SCHEMBL30847414

SCHEMBL30847414

Nc1c(F)cc(Br)cc1NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ PIM2 Q9P1W9 2/20 0.38
▸ LMNA P02545 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ADRB2 P07550 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33

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
SCHEMBL27112718 1.00 ROCK2 (0.39) ROCK2PIM1PIM2LMNAGBA1
SCHEMBL18202586 0.93 ADRB2 (0.38) ROCK2PIM1PIM2LMNAGBA1
SCHEMBL30608169 0.92 PIM1 (0.46) ROCK2PIM1PIM2LMNAGBA1
SCHEMBL23494625 0.92 PIM1 (0.46) ROCK2PIM1PIM2LMNAGBA1
SCHEMBL21478688 0.92 PIM1 (0.46) ROCK2PIM1PIM2LMNAGBA1
SCHEMBL21478409 0.89 EZH2 (0.36) ROCK2PIM1PIM2KDM1AHDAC1
SCHEMBL30608173 0.89 EZH2 (0.36) ROCK2PIM1PIM2KDM1AHDAC1
SCHEMBL25217244 0.82 PIM1 (0.38) ROCK2PIM1PIM2CNR1GAA
SCHEMBL24265615 0.79 PIM1 (0.38) PIM1PIM2LMNAGBA1CYP1A2
SCHEMBL28663871 0.77 ROCK2 (0.51) ROCK2PIM1PIM2MAPTKDM4E

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-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
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