SCHEMBL21470708

SCHEMBL21470708

CN1CCc2ccc(Oc3c(F)cnc4[nH]c(-c5cnn(C)c5)cc34)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 14/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ PRMT5 O14744 1/20 0.40
▸ WNT1 P04628 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ INCENP Q9NQS7 1/20 0.37
▸ TPX2 Q9ULW0 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
SCHEMBL23326985 0.89 KIT (0.42) KITAURKBPDGFRBKDRPRMT5
SCHEMBL21470707 0.86 TYRO3 (0.44) KITAURKBPDGFRBKDRPRMT5
SCHEMBL21470706 0.86 NR1H2 (0.42) KITAURKBPDGFRBKDR
SCHEMBL21470533 0.78 KIT (0.44) KITKDRGSK3BDYRK1A
SCHEMBL21470715 0.78 KIT (0.45) KIT
SCHEMBL21470718 0.78 KIT (0.40) KIT
SCHEMBL21470842 0.78 KIT (0.43) KITKDRGSK3BDYRK1A
SCHEMBL23353703 0.74 ABL1 (0.43) KITPDGFRBKDR
SCHEMBL21470491 0.72 DRD1 (0.34) WNT1GSK3BDYRK1A
SCHEMBL21470816 0.71 DRD1 (0.41) —

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-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 — — WO disclosed
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