SCHEMBL8948378

SCHEMBL8948378

Cc1n[nH]cc1-c1ccc2nccn2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.50
DYRK1A Q13627 2/20 0.50
PDE4A P27815 1/20 0.48
PDE3A Q14432 1/20 0.48
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.42
METAP2 P50579 1/20 0.42
TGFBR2 P37173 1/20 0.41
CREBBP Q92793 1/20 0.41
KEAP1 Q14145 1/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL19806337 0.78 TGFBR1 (0.51) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL19806559 0.78 DYRK1A (0.46) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL19806362 0.78 TGFBR1 (0.47) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL15730182 0.76 TGFBR1 (0.64) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL13874033 0.75 TGFBR1 (0.48) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL20004304 0.75 DYRK1A (0.51) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL17930295 0.74 TGFBR1 (0.64) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL14826052 0.73 DYRK1A (0.85) TGFBR1DYRK1APDE4APDE3ACYP3A4
SCHEMBL19806480 0.72 TGFBR1 (0.60) TGFBR1DYRK1ACYP1A2METAP2
SCHEMBL10512208 0.71 PDE3A (0.61) TGFBR1DYRK1APDE4APDE3ACYP3A4

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
JP-8183787-A None JP disclosed
JP-H08183787-A NEW PYRAZOLE DERIVATIVE EISAI CO LTD 1996-07-16 JP disclosed