SCHEMBL22902685

SCHEMBL22902685

OB(O)c1cnc(Nc2ccccc2F)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.43
▸ AURKA O14965 2/20 0.42
▸ MAPK10 P53779 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CXCL8 P10145 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
SCHEMBL29398215 0.80 PTK2 (0.48) PTK2AURKAMAPK10MAPK8MAPT
SCHEMBL22191517 0.77 PTK2 (0.46) PTK2AURKAMAPK10MAPK8MAPT
SCHEMBL3951907 0.76 AURKA (0.56) PTK2AURKAMAPK10MAPK8MAPT
SCHEMBL22902924 0.75 HDAC6 (0.53) PTK2AURKAMAPK8MAPTKDM4E
SCHEMBL18434144 0.75 PTK2 (0.44) PTK2AURKAMAPK10MAPK8MAPT
SCHEMBL18434243 0.73 PTK2 (0.46) PTK2AURKAMAPK10MAPK8POLB
SCHEMBL22902684 0.72 GRM5 (0.47) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL17110620 0.72 POLB (0.56) PTK2AURKAMAPK10MAPK8MAPT
SCHEMBL18433847 0.71 SMN1; SMN2 (0.51) PTK2MAPK10MAPK8MAPTNPC1
SCHEMBL28220479 0.71 MEN1 (0.69) PTK2MAPTMEN1KMT2AHTT

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
WO-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed
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