SCHEMBL28982212

SCHEMBL28982212

CCc1cc(Nc2nccn3c(-c4ccc(Oc5cnn[nH]5)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(CC2CCN(C(=O)O)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ PTK2 Q05397 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ PFKFB3 Q16875 1/20 0.30
▸ HTR4 Q13639 2/20 0.30
▸ HTR3A P46098 1/20 0.30

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
SCHEMBL30385475 0.93 TP53 (0.33) PTK6
SCHEMBL22122896 0.91 PTK2 (0.35) PTK6PTK2TTK
SCHEMBL30384845 0.84 KDM4E (0.37) PTK2TTK
SCHEMBL25175986 0.84 TP53 (0.35) PTK6PTK2HTR4
SCHEMBL30385441 0.83 TP53 (0.39) PTK2HTR4
SCHEMBL30386422 0.83 PTK6 (0.33) PTK6
SCHEMBL25170406 0.82 PTK6 (0.38) PTK6TTK
SCHEMBL24870950 0.82 PTK6 (0.36) PTK6PTK2TTKHTR4HTR3A
SCHEMBL25170404 0.82 JAK2 (0.33) PTK6TTK
SCHEMBL22123484 0.82 PTK2 (0.38) PTK6PTK2TTKHTR4

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-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
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