SCHEMBL24975716

SCHEMBL24975716

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(-c3cnc4cnc(C(C)(O)C(F)(F)F)cn34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 7/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ MAPK8 P45983 3/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ JUN P05412 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ CCNK O75909 3/20 0.40
▸ CDK12 Q9NYV4 3/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ EIF2AK4 Q9P2K8 2/20 0.39
▸ BTK Q06187 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 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
SCHEMBL24975718 1.00 MAPK9 (0.42) MAPK9TRPV1MAPK8MAPK10JUN
SCHEMBL30248414 1.00 MAPK9 (0.42) MAPK9TRPV1MAPK8MAPK10JUN
SCHEMBL26661914 0.91 MAPK9 (0.44) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL31000078 0.90 EIF2AK4 (0.46) MAPK9TRPV1MAPK8MAPK10JUN
SCHEMBL31000111 0.87 CDK4 (0.40) MAPK9TRPV1MAPK8MAPK10JUN
SCHEMBL24977595 0.87 HDAC4 (0.38) TRPV1IDH1USP30HDAC4HDAC6
SCHEMBL24977598 0.87 HDAC4 (0.38) TRPV1IDH1USP30HDAC4HDAC6
SCHEMBL31068084 0.86 SYK (0.38) TRPV1IDH1USP30HDAC4HDAC6
SCHEMBL24574149 0.85 FLT3 (0.48) IDH1IRAK4USP30EIF2AK4BTK
SCHEMBL24976078 0.83 MAPK9 (0.43) MAPK9MAPK8MAPK10JUNCDK2

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
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 — — WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 — — WO disclosed
Send feedback