Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6236987

Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.41
▸ STAT6 P42226 4/20 0.40
▸ PTK2 Q05397 4/20 0.40
▸ PTK2B Q14289 2/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ CAMK2D Q13557 1/20 0.38
▸ BRSK1 Q8TDC3 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MAP4K5 Q9Y4K4 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ TBK1 Q9UHD2 2/20 0.38
▸ NUAK1 O60285 1/20 0.38
▸ STK16 O75716 1/20 0.38
▸ CSNK2A2 P19784 1/20 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
Trifluoroacetic Acid SCHEMBL6279604 0.94 PTK2 (0.40) NTRK1PTK2PTK2BJAK2PRKD3
SCHEMBL6212141 0.93 KDM4E (0.43) NTRK1STAT6PTK2PTK2BCDK9
SCHEMBL6210924 0.88 JAK2 (0.40) PTK2PTK2BJAK2PRKD3MARK3
SCHEMBL6236688 0.88 PTK2 (0.42) NTRK1PTK2PTK2BJAK2PRKD3
SCHEMBL6239654 0.88 CDK1 (0.44) NTRK1PTK2JAK2PRKD3MARK3
SCHEMBL6241707 0.87 KDM4E (0.43) NTRK1PTK2PTK2BJAK2PRKD3
SCHEMBL6212597 0.87 NTRK1 (0.49) NTRK1PTK2CDK9
SCHEMBL6241718 0.86 PRKCD (0.47) NTRK1PTK2JAK2PRKD3MARK3
SCHEMBL6236216 0.86 STK17B (0.42) NTRK1PTK2JAK2PRKD3MARK3
SCHEMBL6210939 0.86 HTR2C (0.42) NTRK1PTK2JAK2PRKD3MARK3

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-1578732-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2005-09-28 — — EP disclosed
WO-2004056786-A2 PYRIMIDINE DERIVATES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2004-07-08 — — WO disclosed
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