SCHEMBL5823932

SCHEMBL5823932

Nc1nccc2c1c(-c1ccc(Oc3ncccn3)cc1)nn2C1CCC2(CC1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.44
▸ LCK P06239 4/20 0.44
▸ LYN P07948 2/20 0.44
▸ EGFR P00533 5/20 0.43
▸ NUDT14 O95848 1/20 0.42
▸ NUDT5 Q9UKK9 1/20 0.42
▸ SRC P12931 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ ITK Q08881 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ FER P16591 1/20 0.37
▸ CSK P41240 1/20 0.37
▸ TEC P42680 1/20 0.37
▸ BLK P51451 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
SCHEMBL5819712 0.91 BTK (0.54) BTKLCKLYNEGFRNUDT14
SCHEMBL5823929 0.87 BTK (0.61) BTKLCKLYNEGFRNUDT14
SCHEMBL5805229 0.77 BTK (0.75) BTKLCKLYNEGFRNUDT14
SCHEMBL5814555 0.76 RET (0.38) BTKEGFRSRCKDRABL1
SCHEMBL6638074 0.76 BTK (0.46) BTKLCKLYNEGFRNUDT14
SCHEMBL5817678 0.74 BTK (0.59) BTKLCKLYNEGFRNUDT14
SCHEMBL23216900 0.73 BTK (0.58) BTKLCKLYNEGFRNUDT14
SCHEMBL29439195 0.73 BTK (0.70) BTKLCKLYNEGFRNUDT14
SCHEMBL22720779 0.73 BTK (0.70) BTKLCKLYNEGFRNUDT14
SCHEMBL30320518 0.72 RET (0.44) BTKLCKLYNEGFRNUDT14

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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
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