SCHEMBL13994012

SCHEMBL13994012

CC(C)(C)Nc1cccc(-c2cncs2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 13/20 0.52
EGFR P00533 1/20 0.49
DYRK1A Q13627 2/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
RET P07949 1/20 0.42
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL13996536 0.88 EGFR (0.48) CD38EGFRDYRK1ABRD4CREBBP
SCHEMBL13996617 0.83 CD38 (0.53) CD38EGFRDYRK1ABRD4CREBBP
SCHEMBL13994016 0.79 CD38 (0.47) CD38EGFRBRD4RET
SCHEMBL18797672 0.78 NQO2 (0.61) BRD4CREBBPJAK3
SCHEMBL3660171 0.76 NQO2 (0.48) CD38EGFRDYRK1ABRD4CREBBP
SCHEMBL13994028 0.76 PRMT6 (0.51)
SCHEMBL17806501 0.76 KIF11 (0.54) CD38EGFRDYRK1ADYRK2DYRK1B
SCHEMBL9289353 0.75 CD38 (0.53) CD38EGFRDYRK1ADYRK2DYRK1B
SCHEMBL13994046 0.75 IMPDH2 (0.46) CD38RETIMPDH2IMPDH1
SCHEMBL13994042 0.74 CYP2A6 (0.50) DYRK1A

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed