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Sugi Predict / Compounds / SCHEMBL25989277

SCHEMBL25989277

SCHEMBL25989277

CC(C)Oc1ccn2c(-c3ccc(F)c(N[C@H]4CNC[C@@H]4F)n3)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 11/20 0.47
▸ KDR P35968 12/20 0.41
▸ CSF1R P07333 8/20 0.41
▸ KIT P10721 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NRAS P01111 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL25993091 1.00 FLT3 (0.47) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25988834 0.93 KDR (0.44) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24231517 0.88 FLT3 (0.47) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25989699 0.88 FLT3 (0.47) FLT3KDRCSF1RKITCYP2D6
SCHEMBL30621250 0.88 FLT3 (0.47) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25989276 0.87 FLT3 (0.46) FLT3KDRCSF1RKITCYP2D6
SCHEMBL26005151 0.87 FLT3 (0.46) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25993089 0.87 FLT3 (0.46) FLT3KDRCSF1RKITCYP2D6
SCHEMBL24231476 0.87 FLT3 (0.64) FLT3KDRCSF1RKITCYP2D6
SCHEMBL25989838 0.87 FLT3 (0.64) FLT3KDRCSF1RKITCYP2D6

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