SCHEMBL27400121

SCHEMBL27400121

Cc1ccc(-c2c(N)c(C(N)=O)nc3cccnc23)c(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKMYT1 Q99640 10/20 0.36
▸ WEE1 P30291 3/20 0.36
▸ EPHB3 P54753 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ EPHA3 P29320 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ TLR8 Q9NR97 1/20 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
SCHEMBL30905534 0.85 PKMYT1 (0.42) PRMT5PKMYT1WEE1EPHB3CYP3A4
SCHEMBL27397409 0.85 PKMYT1 (0.42) PRMT5PKMYT1WEE1EPHB3CYP3A4
SCHEMBL30905573 0.84 PKMYT1 (0.42) PRMT5LMNAPKMYT1WEE1EPHB3
SCHEMBL27397362 0.84 PKMYT1 (0.42) PRMT5LMNAPKMYT1WEE1EPHB3
SCHEMBL27399247 0.82 MKNK1 (0.50) PRMT5LMNAPARP1MKNK1MKNK2
SCHEMBL27400120 0.82 PRMT5 (0.39) PRMT5LMNAPKMYT1WEE1PARP1
SCHEMBL27399933 0.81 PRMT5 (0.41) PRMT5LMNAPARP1MKNK1MKNK2
SCHEMBL27398651 0.81 LCK (0.37) PRMT5LMNAPKMYT1WEE1EPHB3
SCHEMBL27399014 0.81 LCK (0.51) PRMT5LMNAPARP1MKNK1MKNK2
SCHEMBL30905539 0.80 IKBKB (0.41) LMNAPKMYT1CYP3A4CYP2C9PARP1

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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