SCHEMBL31000306

SCHEMBL31000306

COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)ncc3F)n2nc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ KCNH2 Q12809 7/20 0.37
▸ IGF1R P08069 6/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MTOR P42345 3/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ NRAS P01111 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNC P24863 1/20 0.34

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
SCHEMBL31000146 0.83 FLT3 (0.38) IGF1RCDK2CCNT1CDK9NRAS
SCHEMBL31639195 0.82 FLT3 (0.46) GAAMTORPIK3CALRRK2NRAS
SCHEMBL31000188 0.82 PIK3CA (0.40) GAAIGF1RCDK2PIK3CACCNT1
SCHEMBL31000187 0.82 PIK3CA (0.40) GAAIGF1RCDK2PIK3CACCNT1
SCHEMBL31639610 0.79 NRAS (0.39) LRRK2NRASFLT3FYN
SCHEMBL31000250 0.79 GAA (0.41) GAANPC1RAB9ASMN1; SMN2MTOR
SCHEMBL31000172 0.78 FLT3 (0.37) IGF1RCDK2CCNT1CDK9LRRK2
SCHEMBL31000232 0.78 FLT3 (0.39) KCNH2IGF1RCDK2CCNT1CDK9
SCHEMBL31000198 0.77 CDK7 (0.41) KCNH2IGF1RCDK2CCNT1CDK9
SCHEMBL31639125 0.75 MTOR (0.40) GAANPC1RAB9ASMN1; SMN2MTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
Send feedback