SCHEMBL28295859

SCHEMBL28295859

CP(C)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.47
PTK2 Q05397 2/20 0.43
MAPK3 P27361 10/20 0.43
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
KDR P35968 2/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
TYK2 P29597 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
SCHEMBL24179306 0.84 MAPK3 (0.44) MAPK3
SCHEMBL29137455 0.83 ULK1 (0.42) ULK1PTK2MAPK3CDC7ROCK2
SCHEMBL30631756 0.83 ULK1 (0.42) ULK1PTK2MAPK3CDC7ROCK2
SCHEMBL25530155 0.83 AURKA (0.47) PTK2CDC7MAP4K4IRAK4CDK1
SCHEMBL29761996 0.82 CCNA2 (0.43) ULK1MAPK3CDK9CDK2JAK2
SCHEMBL30833778 0.82 CCNA2 (0.43) ULK1MAPK3CDK9CDK2JAK2
SCHEMBL15600758 0.82 CCNA2 (0.43) ULK1MAPK3CDK9CDK2JAK2
SCHEMBL22520101 0.81 LRRK2 (0.38) MAPK3CDK9CDK2IGF1R
SCHEMBL24716006 0.81 ULK1 (0.48) ULK1PTK2MAPK3CDC7ROCK2
SCHEMBL21557746 0.80 IGF1R (0.51) CDC7ROCK2MAP4K4PIM1PRKACA

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-105330698-B Loop coil aryl phosphorous oxides and sulfide 齐鲁制药有限公司 2019-05-28 CN disclosed