SCHEMBL18286649

SCHEMBL18286649

CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.50
CDK9 P50750 11/20 0.50
CDK2 P24941 2/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
FYN P06241 3/20 0.48
CSF1R P07333 3/20 0.46
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CDK7 P50613 1/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL12056837 1.00 CCNT1 (0.50) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056821 1.00 CCNT1 (0.50) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056900 0.92 FYN (0.48) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL18286644 0.92 CCNC (0.51) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056827 0.92 CCNC (0.51) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056845 0.92 CCNC (0.51) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL24411073 0.91 FYN (0.60) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056823 0.91 CCNC (0.50) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056841 0.91 FYN (0.60) CCNT1CDK9CDK2CCNCCDK8
SCHEMBL12056840 0.91 CCNC (0.50) CCNT1CDK9CDK2CCNCCDK8

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