Sugi Predict

Sugi Predict / Compounds / SCHEMBL7876347

SCHEMBL7876347

SCHEMBL7876347

C[C@H]1[C@@H]2CN(C(=O)Nc3cccc4ccccc34)CCN2C(c2cccnc2)N1c1nccc(-n2cnc3ccccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 19/20 0.54
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL7876344 1.00 LCK (0.54) LCKKMT2A
SCHEMBL7876657 0.89 LCK (0.56) LCKKMT2A
SCHEMBL7876661 0.89 LCK (0.56) LCKKMT2A
SCHEMBL7876664 0.89 LCK (0.56) LCKKMT2A
SCHEMBL7876433 0.81 LCK (0.61) LCKKMT2A
SCHEMBL7547667 0.73 LCK (0.69) LCK
SCHEMBL7506519 0.73 LCK (0.64) LCK
SCHEMBL7588831 0.72 LCK (0.69) LCK
SCHEMBL7494703 0.71 LCK (0.60) LCK
SCHEMBL7547666 0.71 LCK (0.74) LCK

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
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 — — US disclosed