SCHEMBL2637182

SCHEMBL2637182

COc1cc(CP(=O)(O)O)ccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.46
▸ LRRK2 Q5S007 9/20 0.46
▸ JAK2 O60674 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43

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
SCHEMBL9276269 0.91 ALK (0.43) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL2029409 0.87 LRRK2 (0.45) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL2033545 0.84 LRRK2 (0.50) ALKLRRK2
SCHEMBL2029415 0.81 LRRK2 (0.48) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL9276278 0.81 ALK (0.43) ALKLRRK2
SCHEMBL2637127 0.80 PTK2 (0.66) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL2636973 0.80 CDC7 (0.58) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL2637294 0.80 LRRK2 (0.51) ALKLRRK2
SCHEMBL2637381 0.79 LRRK2 (0.57) ALKLRRK2JAK2NTRK1TYK2
SCHEMBL2637475 0.79 PTK2 (0.57) ALKLRRK2JAK2NTRK1TYK2

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-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 — — EP disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 — — WO disclosed
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