SCHEMBL30698332

SCHEMBL30698332

Fc1cccnc1NC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
PRKCZ Q05513 2/20 0.46
AURKA O14965 2/20 0.46
RPS6KB1 P23443 2/20 0.46
PTPN11 Q06124 1/20 0.45
CCNT1 O60563 5/20 0.44
CCNK O75909 5/20 0.44
CCNE1 P24864 5/20 0.44
CDK2 P24941 5/20 0.44
CDK9 P50750 5/20 0.44
CDK12 Q9NYV4 5/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CHEK2 O96017 2/20 0.44
PRKCI P41743 1/20 0.44
CHEK1 O14757 3/20 0.43

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
SCHEMBL1035615 0.91 BRD4 (0.48) BRD4RPS6KB1CHEK2PRKCICHEK1
SCHEMBL1035617 0.91 BRD4 (0.48) BRD4RPS6KB1CHEK2PRKCICHEK1
SCHEMBL19086792 0.81 CYP1A2 (0.50) BRD4AURKARPS6KB1PTPN11
SCHEMBL31227547 0.80 RPS6KB1 (0.49) BRD4PRKCZAURKARPS6KB1CHEK2
SCHEMBL30259588 0.78 KDM4E (0.61) BRD4PRKCZCCNT1CCNKCCNE1
SCHEMBL3727731 0.77 PRKCZ (0.52) PRKCZCDK2CHEK2CHEK1
SCHEMBL4705576 0.76 IRAK4 (0.52) PRKCZAURKARPS6KB1CDK7CCNH
SCHEMBL15440530 0.76 BRD4 (0.55) BRD4PRKCZAURKARPS6KB1CDK2
SCHEMBL14672433 0.75 MAPK3 (0.46) PRKCZCCNT1CCNKCCNE1CDK2
SCHEMBL14672432 0.75 MAPK3 (0.46) PRKCZCCNT1CCNKCCNE1CDK2

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-4540248-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-04-23 EP disclosed
WO-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 WO disclosed