SCHEMBL24813111

SCHEMBL24813111

CN1CCN(c2nc(Cl)nc3cccc(F)c23)c2cccc(Br)c2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
HRH4 Q9H3N8 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ACHE P22303 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
EGFR P00533 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
PDGFRB P09619 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
KDR P35968 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL30047583 1.00 ABL1 (0.35) ABL1BCRHRH4SMN1; SMN2KDM4E
SCHEMBL24813110 0.90 HRH4 (0.32) ABL1BCRHRH4SMN1; SMN2
SCHEMBL30047252 0.90 HRH4 (0.32) ABL1BCRHRH4SMN1; SMN2
SCHEMBL24813514 0.87 KDM4E (0.34) HRH4SMN1; SMN2KDM4EACHETRPV4
SCHEMBL24813179 0.86 ACHE (0.41) ABL1BCRKDM4EACHEEGFR
SCHEMBL29909599 0.85 ACHE (0.43) ABL1BCRKDM4EACHEEGFR
SCHEMBL23576812 0.85 ACHE (0.43) ABL1BCRKDM4EACHEEGFR
SCHEMBL29909192 0.83 ABL1 (0.35) ABL1BCRSMN1; SMN2ACHE
SCHEMBL23577305 0.83 ABL1 (0.35) ABL1BCRSMN1; SMN2ACHE
SCHEMBL24814614 0.81 CYP1A2 (0.39) HRH4SMN1; SMN2ACHEEGFRTUBB4A

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