SCHEMBL6689789

SCHEMBL6689789

Nc1cncc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.49
▸ LCK P06239 3/20 0.46
▸ LYN P07948 1/20 0.46
▸ NUDT14 O95848 1/20 0.43
▸ NUDT5 Q9UKK9 1/20 0.43
▸ EGFR P00533 2/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41

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
SCHEMBL6641651 0.90 BTK (0.50) BTKLCKLYNNUDT14NUDT5
SCHEMBL5818332 0.86 BTK (0.48) BTKLCKLYNNUDT14NUDT5
SCHEMBL6690528 0.85 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803835 0.84 BTK (0.50) BTKLCKLYNNUDT14NUDT5
SCHEMBL6693408 0.83 BTK (0.56) BTKLCKEGFR
SCHEMBL5817781 0.82 BTK (0.54) BTKLCKLYNNUDT14NUDT5
SCHEMBL6667380 0.80 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL5823682 0.80 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL6638074 0.80 BTK (0.46) BTKLCKLYNNUDT14NUDT5
SCHEMBL6685312 0.80 BTK (0.56) BTKLCKLYNNUDT14NUDT5

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-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — WO disclosed
Send feedback