SCHEMBL1225997

SCHEMBL1225997

COC1(CNc2nc(-c3ccnc(F)c3)ccc2Cl)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.35
MTOR P42345 1/20 0.34
MAP4K4 O95819 2/20 0.34
MINK1 Q8N4C8 2/20 0.34
TNIK Q9UKE5 2/20 0.34
DYRK1A Q13627 6/20 0.34
CLK4 Q9HAZ1 5/20 0.34
CLK1 P49759 4/20 0.34
CLK2 P49760 3/20 0.34
DYRK1B Q9Y463 3/20 0.34
GRM2 Q14416 2/20 0.33
MAPK1 P28482 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 2/20 0.32
CCNT1 O60563 1/20 0.32
SYK P43405 1/20 0.32
ADORA2A P29274 1/20 0.32
WNT3A P56704 1/20 0.32
CLK3 P49761 1/20 0.32

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
SCHEMBL10179244 0.82 CDK9 (0.40) MTORMAP4K4MINK1TNIKDYRK1A
SCHEMBL10179605 0.72 CCNT1 (0.39) DYRK1BCCNT1
SCHEMBL1462894 0.72 CCNT1 (0.45) DYRK1BCCNT1
SCHEMBL15378088 0.72 CDK9 (0.42) MTORDYRK1ACLK4CLK1CLK2
SCHEMBL12465812 0.72 CDK9 (0.35) MTORMAP4K4MINK1TNIKDYRK1B
SCHEMBL1462859 0.70 RORC (0.32)
SCHEMBL1191911 0.70 CCNT1 (0.49) DYRK1BCCNT1
SCHEMBL1462906 0.69 CCNT1 (0.45) ADORA2BGRM2MAPK1CCNT1SYK
SCHEMBL12501653 0.69 ADORA2B (0.32) ADORA2BGRM2MAPK1CCNT1ADORA2A
SCHEMBL1462988 0.67 CCNT1 (0.48) DYRK1BCCNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 WO disclosed