SCHEMBL23833355

SCHEMBL23833355

O=C(Cn1nnc2cccnc21)Nc1ccc(-n2nc(C(F)(F)CF)cc2C2CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 8/20 0.67
CRACR2A Q9BSW2 11/20 0.55

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
SCHEMBL1889401 0.93 ORAI1 (0.77) ORAI1CRACR2A
SCHEMBL30308394 0.93 ORAI1 (0.77) ORAI1CRACR2A
SCHEMBL30096548 0.86 ORAI1 (0.61) ORAI1CRACR2A
SCHEMBL23833356 0.86 ORAI1 (0.61) ORAI1CRACR2A
SCHEMBL12661313 0.85 ORAI1 (0.62) ORAI1CRACR2A
SCHEMBL23833357 0.83 ORAI1 (0.57) ORAI1CRACR2A
SCHEMBL1668577 0.80 ORAI1 (1.00) ORAI1CRACR2A
SCHEMBL1894261 0.75 ORAI1 (0.57) ORAI1CRACR2A
SCHEMBL30308399 0.75 ORAI1 (0.57) ORAI1CRACR2A
SCHEMBL1894258 0.75 ORAI1 (0.57) ORAI1CRACR2A

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-4121089-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME Calcimedica, Inc. (US) 2023-01-25 EP disclosed
WO-2021189013-A1 METHODS AND COMPOSITIONS FOR TREATING ACUTE LUNG INJURY AND ACUTE RESPIRATORY DISTRESS SYNDROME CALCIMEDICA, INC. (US) 2021-09-23 WO disclosed