SCHEMBL25692679

SCHEMBL25692679

CC(C)c1ccnc(NCC2CN(C)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ CCNT1 O60563 3/20 0.38
▸ CDK9 P50750 3/20 0.38
▸ USP1 O94782 2/20 0.38
▸ WDR48 Q8TAF3 2/20 0.38
▸ MAP3K12 Q12852 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR39 O43194 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL18672935 0.89 IRAK4 (0.43) HRH4USP30CCNT1CDK9USP1
SCHEMBL18466042 0.88 HRH4 (0.48) HRH4USP30CCNT1CDK9USP1
SCHEMBL18466141 0.85 HRH4 (0.50) HRH4USP30CCNT1CDK9ROCK2
SCHEMBL25692593 0.82 HRH4 (0.44) HRH4USP30MAP3K12ROCK2ROCK1
SCHEMBL25692677 0.82 HRH4 (0.39) HRH4USP30MAP3K12ROCK2ROCK1
SCHEMBL20252214 0.81 IRAK4 (0.41) HRH4CCNT1CDK9MAP3K12IRAK4
SCHEMBL18672881 0.80 HRH4 (0.54) HRH4CCNT1CDK9ROCK2ROCK1
SCHEMBL25692595 0.80 CCNT1 (0.43) HRH4CCNT1CDK9ROCK2ROCK1
SCHEMBL19171712 0.76 BRD4 (0.49) HRH4CCNT1CDK9ROCK2ROCK1
SCHEMBL19606453 0.75 HRH4 (0.48) HRH4MAP3K12

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-2023108108-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 — — WO disclosed
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