SCHEMBL4702279

SCHEMBL4702279

COC(C)(C)CCc1nc(Nc2ccccc2)nc2c1c(N)nn2-c1c(C)cc(F)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 11/20 0.49
KCNH3 Q9ULD8 3/20 0.35
ALOX15 P16050 2/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
PTPN7 P35236 1/20 0.33
CREBBP Q92793 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LCK P06239 2/20 0.32
BTK Q06187 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL4815958 0.86 TNK2 (0.55) TNK2BTKKDRJAK3CDK4
SCHEMBL2949395 0.77 TNK2 (0.60) TNK2KCNH3USP2LCKBTK
SCHEMBL4701225 0.70 TNK2 (0.49) TNK2ALOX15ALDH1A1KDM4EMEN1
SCHEMBL30339004 0.66 TNK2 (1.00) TNK2LCKBTKKDRJAK3
SCHEMBL2953363 0.66 TNK2 (0.64) TNK2LCKBTKKDRJAK3
SCHEMBL2955963 0.63 TNK2 (0.70) TNK2LCKBTKKDRJAK3
SCHEMBL2952115 0.61 WEE1 (0.57) TNK2USP2MEN1TSHRKMT2A
SCHEMBL3041197 0.59 TNK2 (0.46) TNK2LCKBTKKDRJAK3
SCHEMBL2958052 0.58 TNK2 (0.84) TNK2LCKBTKKDRJAK3
SCHEMBL30338409 0.58 TNK2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926734-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS Amgen Inc. (US) 2008-06-04 EP claimed
WO-2007024680-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS USEFUL AS KINASE ENZYMES MODULATORS AMGEN INC. (US) 2007-03-01 WO claimed