SCHEMBL28089932

SCHEMBL28089932

Cc1ncc2[nH]cc(C(=O)O)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
PRKAG1 P54619 5/20 0.36
PRKAA1 Q13131 5/20 0.36
PRKAB1 Q9Y478 5/20 0.36
PRKAB2 O43741 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
NOTUM Q6P988 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
HPGD P15428 1/20 0.36
DHODH Q02127 7/20 0.35
CSNK2A1 P68400 1/20 0.35
PIM3 Q86V86 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL10002324 0.85 PARP1 (0.42) SYKDHODH
SCHEMBL19657299 0.83 SYK (0.43) SYK
SCHEMBL22050698 0.75 F7 (0.44) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL30863595 0.75 SYK (0.41) SYKNOTUMHPGDCSNK2A1PIM3
SCHEMBL15132061 0.74 CDK2 (0.35) PIM3
SCHEMBL6724863 0.73 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14985857 0.72 PDK2 (0.38)
SCHEMBL9930734 0.72 F7 (0.41) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL15126263 0.72 MAPK1 (0.41)
SCHEMBL26690258 0.71 F7 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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
CN-103582644-B Phthalazinone-Pyrrolopyrimidine Carboxamide Derivatives 塔科达有限责任公司 2016-07-20 CN disclosed