SCHEMBL429602

SCHEMBL429602

CC(C)OCCOc1ccn2c(-c3cncc(N[C@@H]4CCCN(C(=O)O)C4C(C)(C)C)n3)cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.35
KDR P35968 12/20 0.35
CSF1R P07333 7/20 0.35
KIT P10721 3/20 0.34
SIK2 Q9H0K1 4/20 0.33
SIK3 Q9Y2K2 4/20 0.33
SIK1 P57059 3/20 0.33

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
SCHEMBL376265 0.82 IRAK4 (0.34) FLT3KDRCSF1RSIK2
SCHEMBL429603 0.80 KDR (0.39) FLT3KDRCSF1RSIK2SIK3
SCHEMBL1923038 0.80 KDR (0.39) FLT3KDRCSF1RSIK2SIK3
SCHEMBL386046 0.75 FLT3 (0.51) FLT3KDRCSF1RKIT
SCHEMBL386045 0.75 FLT3 (0.51) FLT3KDRCSF1RKIT
SCHEMBL10238377 0.75 FLT3 (0.52) FLT3KDRCSF1RKIT
SCHEMBL26358257 0.72 FLT3 (0.43) FLT3KDRCSF1RKIT
SCHEMBL26358255 0.72 FLT3 (0.43) FLT3KDRCSF1RKIT
SCHEMBL376071 0.71 MAPK8 (0.37)
SCHEMBL376184 0.70 EIF2AK4 (0.46)

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-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed