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SCHEMBL8510098

SCHEMBL8510098

CC1(C)CCC(C)(C)c2cc(-c3ccnc(OC4CCNCC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nccc(OC4CCNCC4)n3)ccc21.Cc1nc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(N2CCNCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PRKD1 Q15139 12/20 0.34
▸ PRKD2 Q9BZL6 12/20 0.34
▸ SYK P43405 4/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ PRKD3 O94806 1/20 0.31
▸ KARS1 Q15046 2/20 0.31

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
SCHEMBL8511699 0.93 IRAK4 (0.41) IRAK4PRKD1PRKD2ADRB1PRKD3
SCHEMBL8511463 0.81 SYK (0.43) IRAK4SYK
SCHEMBL8511070 0.80 IRAK4 (0.48) IRAK4SYKPRKD3
SCHEMBL9612709 0.78 KMT2A (0.47) PRKD1PRKD2ADRB1PRKD3KARS1
Trifluoroacetic Acid SCHEMBL8511882 0.74 RARB (0.39) SYK
SCHEMBL8515571 0.73 CYP1A2 (0.47) PRKD1PRKD2ADRB1PRKD3
Trifluoroacetic Acid SCHEMBL8514001 0.73 RARA (0.42) IRAK4
Hydrochloric Acid SCHEMBL8514610 0.72 CYP1A2 (0.46) PRKD1PRKD2ADRB1PRKD3
SCHEMBL8510708 0.70 RARB (0.42) —
Trifluoroacetic Acid SCHEMBL8537644 0.70 HRH4 (0.43) PRKD1PRKD2PRKD3

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO claimed