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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5767459

O=C(O)C(F)(F)F.c1ccc(-c2cc([C@@H]3CCCN3)on2)nc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ S1PR3 Q99500 1/20 0.37
▸ SCD5 Q86SK9 3/20 0.37
▸ SCD O00767 1/20 0.37

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
SCHEMBL3851207 0.89 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL3851702 0.89 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL3852603 0.85 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL4915985 0.80 KDM4E (0.41) CHRNB2CHRNA4S1PR3
SCHEMBL4912545 0.80 KDM4E (0.41) CHRNB2CHRNA4S1PR3
Trifluoroacetic Acid SCHEMBL953331 0.77 CHRM2 (0.40) CHRNB2CHRNA4
SCHEMBL16464688 0.75 NPC1 (0.51) CHRNB2CHRNA4
SCHEMBL3852786 0.75 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL16464687 0.75 NPC1 (0.51) CHRNB2CHRNA4
SCHEMBL3852788 0.75 CHRNB2 (0.51) CHRNB2CHRNA4

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-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 — — EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 — — WO disclosed