SCHEMBL29656876

SCHEMBL29656876

CN1CCN(c2ccc3nc(-c4c(N)c5ccsc5[nH]c4=O)[nH]c3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.69
FGFR1 P11362 18/20 0.54
FLT1 P17948 4/20 0.54
PDGFRB P09619 15/20 0.50
KDR P35968 15/20 0.50
FLT3 P36888 1/20 0.50
MAP4K1 Q92918 1/20 0.50

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
Hydrochloric Acid SCHEMBL29656957 0.89 LCK (0.55) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL29656917 0.88 LCK (0.54) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL28734078 0.85 LCK (0.52) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL25778573 0.84 LCK (0.61) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL3381734 0.83 FGFR1 (0.74) FGFR1FLT1PDGFRBKDR
SCHEMBL20293443 0.82 LCK (1.00) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL29656942 0.81 LCK (0.51) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL20293394 0.80 LCK (0.66) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL26081348 0.80 LCK (0.86) LCKFGFR1FLT1PDGFRBKDR
SCHEMBL29656935 0.79 LCK (0.47) LCKFGFR1FLT1PDGFRBKDR

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-109721620-B HPK1 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-13 CN disclosed