SCHEMBL21677080

SCHEMBL21677080

CN1CCN(S(=O)(=O)n2cc(-c3cnc4[nH]cc(-c5ccc6c(c5)OC(C)(F)O6)c4c3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.48
TNIK Q9UKE5 10/20 0.43
MAP3K11 Q16584 7/20 0.43
IL2 P60568 3/20 0.42
SGK1 O00141 1/20 0.40
IKBKB O14920 1/20 0.40
AURKA O14965 1/20 0.40
CHUK O15111 1/20 0.40
PRKAB2 O43741 1/20 0.40
ROCK2 O75116 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
CDK1 P06493 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
CYP3A4 P08684 1/20 0.40
SRC P12931 1/20 0.40
FLT1 P17948 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
SCHEMBL15805266 0.94 MAP4K1 (0.49) MAP4K1TNIKMAP3K11IL2SGK1
SCHEMBL21676912 0.79 TNIK (0.46) TNIKMET
SCHEMBL19860025 0.76 SIK1 (0.46) MAP4K1TNIKMAP3K11
SCHEMBL15799697 0.76 TNIK (0.52) MAP4K1TNIKIL2MET
SCHEMBL21677011 0.75 MAP4K1 (0.41) MAP4K1TNIKMAP3K11IL2
SCHEMBL15805270 0.74 SIK1 (0.59) MAP4K1TNIKMAP3K11IL2
SCHEMBL15799549 0.74 TNIK (0.49) TNIKMET
SCHEMBL15799255 0.73 TNIK (0.47) TNIKMET
SCHEMBL15799597 0.71 TNIK (0.45) TNIKMET
SCHEMBL15799554 0.68 PAK1 (0.61) MET

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
EP-2931722-B1 SUBSTITUTED 1H-PYRROLO [2,3-B]PYRIDINE AND 1H-PYRAZOLO [3, 4-B]PYRIDINE DERIVATIVES AS SALT INDUCIBLE KINASE 2 (SIK2) INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2020-02-05 EP disclosed