SCHEMBL25320792

SCHEMBL25320792

CCn1cc2cc(C)c(-c3ccc(NC(=O)c4c(F)cncc4F)nc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 3/20 0.45
▸ ABL1 P00519 14/20 0.42
▸ STIM1 Q13586 3/20 0.38
▸ ORAI1 Q96D31 3/20 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
SCHEMBL12155920 0.82 IL2 (0.48) IL2ABL1
SCHEMBL18038386 0.80 IL2 (0.45) IL2ABL1
SCHEMBL12155635 0.78 IL2 (0.60) IL2ABL1STIM1ORAI1
SCHEMBL12155559 0.76 STIM1 (0.58) IL2ABL1STIM1ORAI1
SCHEMBL12155794 0.76 STIM1 (0.58) IL2ABL1STIM1ORAI1
SCHEMBL12156310 0.76 IL2 (0.47) IL2ABL1STIM1ORAI1
SCHEMBL24177867 0.76 IL2 (0.43) IL2ABL1STIM1ORAI1
SCHEMBL12156152 0.76 IL2 (0.48) IL2ABL1
SCHEMBL12155827 0.75 STIM1 (0.57) IL2ABL1STIM1ORAI1
SCHEMBL12155420 0.74 IL2 (0.54) IL2ABL1STIM1ORAI1

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-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 — — WO claimed
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