SCHEMBL6435580

SCHEMBL6435580

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2-c1ccc(CN2CCSC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.58
▸ SRC P12931 7/20 0.53
▸ EGFR P00533 1/20 0.53
▸ NUDT14 O95848 2/20 0.52
▸ NUDT5 Q9UKK9 2/20 0.52
▸ LYN P07948 5/20 0.50
▸ LCK P06239 4/20 0.50
▸ FYN P06241 6/20 0.47
▸ FLT3 P36888 4/20 0.47
▸ PTK6 Q13882 4/20 0.47
▸ HCK P08631 3/20 0.47
▸ FGR P09769 3/20 0.47
▸ MAP2K1 Q02750 3/20 0.47
▸ BRAF P15056 3/20 0.47
▸ MAP2K5 Q13163 3/20 0.47
▸ BMX P51813 3/20 0.47
▸ YES1 P07947 2/20 0.47
▸ BLK P51451 2/20 0.47
▸ RET P07949 2/20 0.47
▸ KIT P10721 2/20 0.47

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
SCHEMBL5804464 0.86 BTK (0.60) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6431771 0.84 BTK (0.58) BTKSRCEGFRNUDT14NUDT5
SCHEMBL6435560 0.83 BTK (0.57) BTKSRCEGFRNUDT14NUDT5
SCHEMBL5800505 0.81 SRC (0.63) BTKSRCEGFRNUDT14NUDT5
SCHEMBL25068862 0.79 NUDT14 (0.68) BTKSRCEGFRNUDT14NUDT5
SCHEMBL31070358 0.78 SRC (0.58) BTKSRCEGFRNUDT14NUDT5
SCHEMBL4826570 0.78 SRC (0.67) BTKSRCEGFRNUDT14NUDT5
SCHEMBL4820446 0.77 EGFR (0.62) BTKSRCEGFRNUDT14NUDT5
SCHEMBL25068860 0.77 NUDT14 (0.64) BTKSRCEGFRNUDT14NUDT5
SCHEMBL4824040 0.76 NUDT14 (0.64) BTKSRCEGFRNUDT14NUDT5

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
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
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