SCHEMBL27330375

SCHEMBL27330375

COc1cc2ncc(-c3nc(NC4CCCNC4)c(F)cc3F)n2nc1C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 10/20 0.55
▸ FLT3 P36888 10/20 0.55
▸ CDK7 P50613 4/20 0.41
▸ CCNH P51946 4/20 0.41
▸ MNAT1 P51948 2/20 0.41
▸ CHEK1 O14757 2/20 0.38
▸ CDK2 P24941 2/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ IRAK1 P51617 3/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ PDGFRB P09619 2/20 0.37
▸ LCK P06239 1/20 0.37
▸ RET P07949 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ DDR1 Q08345 1/20 0.36
▸ NTRK3 Q16288 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
SCHEMBL27327743 1.00 NRAS (0.55) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27330153 0.98 NRAS (0.55) NRASFLT3CDK7CCNHMNAT1
SCHEMBL31740008 0.98 NRAS (0.55) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27327588 0.98 NRAS (0.54) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27330287 0.98 NRAS (0.54) NRASFLT3CDK7CCNHMNAT1
SCHEMBL24542246 0.97 NRAS (0.56) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27198198 0.97 NRAS (0.56) NRASFLT3CDK7CCNHMNAT1
SCHEMBL31740029 0.93 NRAS (0.53) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27330157 0.93 NRAS (0.53) NRASFLT3CDK7CCNHMNAT1
SCHEMBL27327569 0.93 NRAS (0.53) NRASFLT3CDK7CCNHMNAT1

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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