SCHEMBL18286648

SCHEMBL18286648

CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.54
▸ CSF1R P07333 3/20 0.52
▸ CCNC P24863 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ CCNT1 O60563 10/20 0.45
▸ CDK9 P50750 10/20 0.45
▸ PFKFB3 Q16875 1/20 0.44
▸ CDK2 P24941 3/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ BRAF P15056 2/20 0.42

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
SCHEMBL12065009 1.00 FYN (0.54) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056838 1.00 FYN (0.54) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056828 0.93 CSF1R (0.51) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056844 0.93 CSF1R (0.51) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL18286646 0.93 CSF1R (0.51) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056818 0.93 FYN (0.55) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056775 0.93 FYN (0.55) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056814 0.93 CCNT1 (0.52) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL24411077 0.92 CCNC (0.58) FYNCSF1RCCNCCDK8CCNT1
SCHEMBL12056766 0.92 CCNC (0.58) FYNCSF1RCCNCCDK8CCNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022098808-A1 THERAPEUTIC AGENTS FOR TREATING HEPATOCELLULAR CARCINOMA ARIA PHARMACEUTICALS, INC. (US) 2022-05-12 — — WO disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
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