SCHEMBL27332445

SCHEMBL27332445

COc1ccc(NC2CNCCC2F)nc1-c1cnc2cc(OC)c(C3CC3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 12/20 0.42
▸ FLT3 P36888 12/20 0.42
▸ IRAK1 P51617 3/20 0.39
▸ CDK7 P50613 3/20 0.39
▸ CCNH P51946 3/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ RET P07949 1/20 0.39
▸ FYN P06241 6/20 0.39
▸ 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
▸ AURKB Q96GD4 1/20 0.38
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35

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
SCHEMBL27327896 1.00 NRAS (0.42) NRASFLT3IRAK1CDK7CCNH
SCHEMBL31739753 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27327391 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL31739607 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27330141 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27329941 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27327561 0.93 FLT3 (0.41) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27327101 0.93 FLT3 (0.38) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27331053 0.93 FLT3 (0.38) NRASFLT3IRAK1CDK7CCNH
SCHEMBL27328041 0.90 FLT3 (0.46) NRASFLT3IRAK1CDK7CCNH

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
Send feedback