SCHEMBL29942401

SCHEMBL29942401

Cc1cccc(Cc2nn(C(C)(C)C)c3ncncc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ ABL1 P00519 2/20 0.41
▸ NTRK1 P04629 2/20 0.39
▸ FYN P06241 3/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CSK P41240 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37

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
SCHEMBL14982761 0.87 SRC (0.53) SRCAKT1ABL1FYNRIPK2
SCHEMBL14982760 0.78 SRC (0.70) SRCAKT1NTRK1ADRA1A
SCHEMBL30175068 0.78 SRC (0.78) SRCAKT1ABL1FYNRIPK2
SCHEMBL30429079 0.78 SRC (0.78) SRCAKT1ABL1FYNRIPK2
SCHEMBL12436052 0.78 SRC (0.78) SRCAKT1ABL1FYNRIPK2
SCHEMBL726813 0.68 SRC (0.64) SRCAKT1ABL1FYNRIPK2
SCHEMBL1318810 0.67 SRC (0.79) SRCAKT1ABL1FYNRIPK2
SCHEMBL21475580 0.67 GRM5 (0.49) FYNCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14982758 0.66 SRC (0.68) SRCABL1NTRK1FYN
SCHEMBL14584045 0.66 SRC (0.33) SRCABL1FYNRIPK2PRKD3

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
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