SCHEMBL29875779

SCHEMBL29875779

Cc1cc(Nc2cc3ccccc3nc2C(N)=O)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ TNIK Q9UKE5 3/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ MARK3 P27448 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL28891616 1.00 ADRA2A (0.41) ADRA2AADRA2BADRA2CSCN10ATNIK
SCHEMBL29875994 0.88 KDM4E (0.41) TNIKCHEK1ROS1FLT3KDM4E
SCHEMBL28891734 0.88 KDM4E (0.41) TNIKCHEK1ROS1FLT3KDM4E
SCHEMBL28891628 0.87 SLC2A1 (0.41) TNIKCDK2PLK4CHEK1PRKD3
SCHEMBL28891635 0.87 SLC2A1 (0.41) TNIKCDK2PLK4CHEK1PRKD3
SCHEMBL28891852 0.85 EML4 (0.47) ROS1FLT3PIM1EML4ALK
SCHEMBL29876463 0.85 EML4 (0.47) ROS1FLT3PIM1EML4ALK
SCHEMBL28891739 0.84 SLC2A1 (0.39) ADRA2AADRA2CCDK2KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL28891676 0.80 ADRA2A (0.55) ADRA2AADRA2BADRA2CTNIKCDK2
Trifluoroacetic Acid SCHEMBL29876164 0.80 ADRA2A (0.55) ADRA2AADRA2BADRA2CTNIKCDK2

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-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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