SCHEMBL31489449

SCHEMBL31489449

CC(C)(c1ccccc1)n1cc(I)cn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.41
CYP2B6 P20813 1/20 0.38
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
P2RX7 Q99572 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
SCHEMBL31489849 0.83 CYP17A1 (0.39) ITK
SCHEMBL69872 0.81 KCNN4 (0.36)
SCHEMBL14699376 0.79 ITK (0.41) ITKCYP2B6TAAR1MAPK1ALDH1A1
SCHEMBL14699125 0.72 F2 (0.48) ITKALDH1A1
SCHEMBL31010345 0.71 FFAR1 (0.30)
SCHEMBL20899324 0.70 LMNA (0.43)
SCHEMBL22513035 0.67
SCHEMBL20899261 0.67 LRRK2 (0.36)
SCHEMBL22531269 0.67 PDK2 (0.39)
SCHEMBL21791747 0.67 LRRK2 (0.33)

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed