SCHEMBL6665772

SCHEMBL6665772

Nc1nccc2c1c(I)nn2C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SRC P12931 9/20 0.43
KDR P35968 6/20 0.43
RET P07949 4/20 0.43
LCK P06239 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
FYN P06241 1/20 0.43

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
SCHEMBL26790960 0.92 SRC (0.43) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL24096562 0.90 RET (0.51) SRCKDRRETLCKCDC7
SCHEMBL5817942 0.85 RET (0.47) SRCKDRRETLCKCDC7
SCHEMBL5818451 0.85 RPS6KA5 (0.39) SRCKDRRETLCKCDC7
Hydrochloric Acid SCHEMBL6273573 0.84 RPS6KA5 (0.38) SRCKDRRETLCKCDC7
SCHEMBL5818829 0.83 GAA (0.47) ALOX15SRCKDRRETLCK
SCHEMBL5819930 0.83 RET (0.42) SRCKDRRETLCKCDC7
SCHEMBL5814297 0.80 RET (0.39) SRCKDRRETLCKCDC7
SCHEMBL5815909 0.79 LCK (0.46) SRCKDRRETLCKCDC7
SCHEMBL6268856 0.79 JAK2 (0.42) SRCKDRRETLCKCDC7

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