SCHEMBL25989702

SCHEMBL25989702

FC1CNCC1Nc1cccc(-c2cnc3cc(OC4CC4)ccn23)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 13/20 0.62
IRAK4 Q9NWZ3 8/20 0.51
KDR P35968 5/20 0.46
CSF1R P07333 4/20 0.46
KIT P10721 3/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
NRAS P01111 3/20 0.45

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
SCHEMBL24231304 1.00 FLT3 (0.62) FLT3IRAK4KDRCSF1RKIT
SCHEMBL24231329 0.93 FLT3 (0.58) FLT3IRAK4KDRCSF1RKIT
SCHEMBL25991512 0.93 FLT3 (0.58) FLT3IRAK4KDRCSF1RKIT
SCHEMBL24975664 0.89 FLT3 (0.50) FLT3IRAK4KDRCSF1RKIT
SCHEMBL24231529 0.89 FLT3 (0.79) FLT3IRAK4KDRCSF1RKIT
SCHEMBL25989694 0.89 FLT3 (0.79) FLT3IRAK4KDRCSF1RKIT
SCHEMBL25989696 0.89 FLT3 (0.79) FLT3IRAK4KDRCSF1RKIT
SCHEMBL26357431 0.88 FLT3 (0.53) FLT3IRAK4KDRCSF1RKIT
SCHEMBL26358072 0.88 FLT3 (0.53) FLT3IRAK4KDRCSF1RKIT
SCHEMBL31557797 0.87 FLT3 (0.47) FLT3IRAK4KDRCSF1RKIT

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
WO-2023150601-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-08-10 WO disclosed