SCHEMBL28058707

SCHEMBL28058707

NNc1nc(-c2ccncc2)nc(-c2ccncc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
AGTR1 P30556 1/20 0.39
CYP19A1 P11511 1/20 0.39
LATS1 O95835 8/20 0.39
LATS2 Q9NRM7 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNA1 Q09470 1/20 0.39
KDM4E B2RXH2 3/20 0.38
PDE5A O76074 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
MPO P05164 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
Hydrochloric Acid SCHEMBL11181852 0.85 LATS1 (0.37) MAPTLMNAAGTR1CYP19A1LATS1
SCHEMBL11193866 0.84 HDAC1 (0.39) MAPTLMNAAGTR1CYP19A1LATS1
SCHEMBL980050 0.81 MAPT (0.62) MAPTLMNACYP19A1LATS1LATS2
SCHEMBL15912100 0.80 MAPT (0.61) MAPTLMNAAGTR1SMN1; SMN2ALDH1A1
SCHEMBL30866250 0.78 MAPT (0.59) MAPTLMNACYP19A1LATS1LATS2
SCHEMBL11957581 0.76 MAPT (0.65) MAPTLMNACYP19A1SMN1; SMN2ALDH1A1
SCHEMBL18538202 0.76 MAPT (0.65) MAPTLMNACYP19A1SMN1; SMN2ALDH1A1
SCHEMBL11615493 0.76 MAPT (0.61) MAPTLMNAAGTR1SMN1; SMN2ALDH1A1
SCHEMBL11194229 0.75 LATS1 (0.32) LATS1LATS2
SCHEMBL8490725 0.75 ADORA2A (0.56) MAPTLMNACYP19A1SMN1; SMN2ALDH1A1

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
CN-105473570-A Diaminoheteroaryl substituted pyrazoles Bayer Pharma AG 2016-04-06 CN claimed
CN-105473570-A Diaminoheteroaryl substituted pyrazoles Bayer Pharma AG 2016-04-06 CN disclosed