SCHEMBL4749424

SCHEMBL4749424

Cc1c(F)cccc1C1[C@@H](C(=O)c2ncccn2)CN(CC(=O)N(C)C)C[C@H]1C(=O)c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.42
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
GRIN2B Q13224 13/20 0.36
RIPK1 Q13546 1/20 0.35
GRIN1 Q05586 2/20 0.34
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL4749426 1.00 EED (0.42) EEDCCNT1CDK9GRIN2BRIPK1
SCHEMBL4023587 0.90 EED (0.41) EEDCCNT1CDK9GRIN2B
SCHEMBL4023583 0.90 EED (0.41) EEDCCNT1CDK9GRIN2B
SCHEMBL4019575 0.88 EED (0.37) EEDCCNT1CDK9CYP2D6TAAR1
SCHEMBL4019577 0.88 EED (0.37) EEDCCNT1CDK9CYP2D6TAAR1
SCHEMBL4020952 0.86 EED (0.37) EEDCCNT1CDK9GRIN2BCYP2D6
SCHEMBL4020948 0.86 EED (0.37) EEDCCNT1CDK9GRIN2BCYP2D6
SCHEMBL4019982 0.86 KMT2A (0.39) EEDGRIN2BRIPK1
SCHEMBL4019987 0.86 KMT2A (0.39) EEDGRIN2BRIPK1
SCHEMBL4749407 0.85 EED (0.32) EEDRIPK1

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed