SCHEMBL27362503

SCHEMBL27362503

COc1cc2ncc(-c3cncc(NC4CNCCC4F)n3)n2nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 14/20 0.42
▸ NRAS P01111 13/20 0.42
▸ IRAK1 P51617 3/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CCNH P51946 2/20 0.41
▸ LCK P06239 1/20 0.41
▸ RET P07949 1/20 0.41
▸ DYRK1A Q13627 4/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CLK3 P49761 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ CHEK2 O96017 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ NTRK3 Q16288 1/20 0.38

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
SCHEMBL24975696 1.00 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27362603 1.00 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24975723 0.93 DYRK1A (0.39) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL31000310 0.91 DYRK1A (0.39) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27332283 0.90 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327758 0.90 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24542858 0.89 FLT3 (0.42) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL24542247 0.89 FLT3 (0.56) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27362821 0.89 FLT3 (0.56) FLT3NRASIRAK1IRAK4PDGFRB
SCHEMBL27327870 0.89 FLT3 (0.42) 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-2024030908-A1 MULTI-CYCLIC IRAK1 AND IRAK4 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-02-08 — — WO disclosed
Send feedback