SCHEMBL22191095

SCHEMBL22191095

O=c1[nH]c2ccc(-c3cnc(NCc4ccccc4)nc3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ PRKD3 O94806 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ LYN P07948 1/20 0.50
▸ RET P07949 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ FER P16591 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ MARK3 P27448 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ SYK P43405 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ BLK P51451 1/20 0.50
▸ RPS6KA3 P51812 1/20 0.50
▸ LIMK1 P53667 1/20 0.50

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
SCHEMBL28644765 0.95 PLK4 (0.55) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191488 0.90 KDM4E (0.47) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191347 0.88 PDE3B (0.60) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191489 0.88 HPGD (0.50) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22190941 0.87 HDAC1 (0.49) CDK2CLK4PDE3BPDE3AVNN1
SCHEMBL22191321 0.87 DYRK1A (0.48) MAP4K4PIM1CDK2GSK3BCLK4
SCHEMBL22191481 0.87 VNN1 (0.48) PDE3BPDE3AVNN1HDAC3HDAC1
SCHEMBL22190998 0.87 GAA (0.47) PDE3BPDE3AVNN1DYRK1AKMT2A
SCHEMBL22191334 0.87 PLK4 (0.48) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL22191518 0.86 PDE3B (0.45) PLK4CHEK1PRKD3MAP4K4CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — WO disclosed
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