SCHEMBL24813110

SCHEMBL24813110

CN1CCN(c2nc(Cl)nc3ccc(F)c(F)c23)c2cccc(Br)c2C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKT1 P31749 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL30047252 1.00 HRH4 (0.32) HRH4ABL1BCRSMN1; SMN2AKT1
SCHEMBL24813111 0.90 ABL1 (0.35) HRH4ABL1BCRSMN1; SMN2
SCHEMBL30047583 0.90 ABL1 (0.35) HRH4ABL1BCRSMN1; SMN2
SCHEMBL24813566 0.86 TUBB4A (0.35) ABL1BCR
SCHEMBL24814803 0.85 ACHE (0.34) ABL1BCR
SCHEMBL24813185 0.84 AKT1 (0.35) ABL1BCRAKT1
SCHEMBL30047399 0.82 CYP1A2 (0.39) HRH4SMN1; SMN2HTR6
SCHEMBL24814614 0.82 CYP1A2 (0.39) HRH4SMN1; SMN2HTR6
SCHEMBL24813514 0.77 KDM4E (0.34) HRH4SMN1; SMN2
SCHEMBL24813109 0.76 MAPT (0.33) HRH4

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-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed