SCHEMBL2958052

SCHEMBL2958052

COC(C)(C)CCn1nc(Nc2ccccc2)c2cnc(Nc3ccccc3)nc21

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 20/20 0.84
LCK P06239 2/20 0.61
BTK Q06187 2/20 0.61
KDR P35968 1/20 0.61
JAK3 P52333 1/20 0.61
TEK Q02763 1/20 0.61

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
SCHEMBL30338409 1.00 TNK2 (0.84) TNK2LCKBTKKDRJAK3
SCHEMBL30338308 0.90 TNK2 (0.87) TNK2LCKBTKKDRJAK3
SCHEMBL2949506 0.90 TNK2 (0.87) TNK2LCKBTKKDRJAK3
SCHEMBL2955963 0.88 TNK2 (0.70) TNK2LCKBTKKDRJAK3
SCHEMBL30339004 0.88 TNK2 (1.00) TNK2LCKBTKKDRJAK3
SCHEMBL17859384 0.85 TNK2 (0.88) TNK2LCKBTKKDRJAK3
SCHEMBL13239773 0.79 TNK2 (0.81) TNK2LCKBTKKDRJAK3
SCHEMBL30338625 0.78 TNK2 (1.00) TNK2LCKBTKKDRJAK3
SCHEMBL30338621 0.75 TNK2 (1.00) TNK2LCKBTKKDRJAK3
SCHEMBL2955423 0.75 TNK2 (0.76) TNK2LCKBTKKDRJAK3

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
US-7763624-B2 Substituted pyrazolo[3,4-d]pyrimidines as ACK-1 and LCK inhibitors AMGEN INC. (US) 2010-07-27 US claimed