SCHEMBL27401362

SCHEMBL27401362

COc1ccc(C)c(-c2c(N)c(C(N)=O)nc3cccnc23)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.44
▸ PRMT5 O14744 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ PLAU P00749 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ IKBKB O14920 1/20 0.35

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
SCHEMBL30905510 0.88 PKMYT1 (0.40) PKMYT1PRMT5LMNAMAPTRAB9A
SCHEMBL27401343 0.88 PKMYT1 (0.40) PKMYT1PRMT5LMNAMAPTRAB9A
SCHEMBL27399923 0.87 BRD4 (0.35) PKMYT1PRMT5LMNAMAPTRAB9A
SCHEMBL27397408 0.86 IKBKB (0.41) PKMYT1LMNAMAPTRAB9AKDM4E
SCHEMBL30905539 0.86 IKBKB (0.41) PKMYT1LMNAMAPTRAB9AKDM4E
SCHEMBL30905573 0.85 PKMYT1 (0.42) PKMYT1PRMT5LMNAKDM4EPARP1
SCHEMBL27397362 0.85 PKMYT1 (0.42) PKMYT1PRMT5LMNAKDM4EPARP1
SCHEMBL30905482 0.83 PKMYT1 (0.47) PKMYT1MAPTKDM4ENPC1POLB
SCHEMBL27401714 0.83 PKMYT1 (0.47) PKMYT1MAPTKDM4ENPC1POLB
SCHEMBL27398649 0.82 MKNK1 (0.35) PKMYT1PRMT5LMNAMAPTRAB9A

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-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
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