SCHEMBL28595492

SCHEMBL28595492

O=C1Cc2cc(Nc3nc(C(F)(F)F)ccc3NC(=O)C3CC(F)C3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2B Q14289 8/20 0.48
▸ SMYD3 Q9H7B4 2/20 0.46
▸ KIF11 P52732 2/20 0.45
▸ BCL6 P41182 2/20 0.41
▸ PTK2 Q05397 7/20 0.41
▸ SYK P43405 2/20 0.40
▸ ULK1 O75385 2/20 0.39
▸ HDAC3 O15379 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
SCHEMBL18188282 0.77 PTK2B (0.59) PTK2BKIF11BCL6PTK2SYK
SCHEMBL18188109 0.74 PTK2B (0.56) PTK2BKIF11BCL6PTK2ULK1
SCHEMBL18188476 0.67 KMT2A (0.43) ULK1
SCHEMBL7138709 0.66 KIF11 (0.80) PTK2BKIF11BCL6PTK2
SCHEMBL21489762 0.63 SMYD3 (1.00) SMYD3ULK1
SCHEMBL19710217 0.63 SMYD3 (1.00) SMYD3ULK1
SCHEMBL18188230 0.63 NPC1 (0.43) ULK1
SCHEMBL16208518 0.63 KIF11 (1.00) PTK2BKIF11
SCHEMBL17544761 0.62 ULK1 (0.69) PTK2BPTK2ULK1
SCHEMBL3154998 0.62 PTK2B (0.78) PTK2BBCL6PTK2ULK1

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
CN-107835814-B Azabenzimidazoles and their use as AMPA receptor modulators 詹森药业有限公司 2021-07-23 — — CN disclosed
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