SCHEMBL27329555

SCHEMBL27329555

COc1ccc(-c2cnc3cc(OC)c(C4CC4)nn23)nc1NC1CNCC1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.38
▸ NRAS P01111 11/20 0.38
▸ IRAK1 P51617 3/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ PDGFRB P09619 2/20 0.35
▸ CDK7 P50613 2/20 0.35
▸ CCNH P51946 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ RET P07949 1/20 0.35
▸ FYN P06241 4/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ PRKCI P41743 1/20 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
SCHEMBL31739915 1.00 FLT3 (0.38) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326950 1.00 FLT3 (0.38) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27329552 0.93 FLT3 (0.37) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739699 0.93 FLT3 (0.37) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327562 0.93 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326930 0.93 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31739830 0.93 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27330147 0.93 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27326947 0.93 FLT3 (0.37) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27329394 0.93 FLT3 (0.41) FLT3NRASIRAK1IRAK4PDGFRB

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-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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