SCHEMBL27606187

SCHEMBL27606187

c1cncc(Nc2cc[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.39
METAP2 P50579 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CLK1 P49759 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
KDR P35968 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL834683 0.79 MAPT (0.50) KMT2ARAB9ANPC1KDM4EL3MBTL1
SCHEMBL29793056 0.76 KIF11 (0.60) ADRA2AADRA2BADRA2CRAD52KMT2A
SCHEMBL1368828 0.76 KIF11 (0.60) ADRA2AADRA2BADRA2CRAD52KMT2A
SCHEMBL1272593 0.73
SCHEMBL14941676 0.73 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1KDR
SCHEMBL25781511 0.72 KARS1 (0.45) ALDH1A1
SCHEMBL18725641 0.72 TSHR (0.46) ADRA2AADRA2BADRA2CRAD52KMT2A
SCHEMBL29826892 0.72 TSHR (0.46) ADRA2AADRA2BADRA2CRAD52KMT2A
SCHEMBL4037525 0.70 TSHR (0.61) RAD52KMT2ARAB9ANPC1KDM4E
SCHEMBL16881732 0.70 EGFR (0.46) KDM4EMAPK1MAPTKDR

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-85103468-A Prepare the method for new compound and new purposes thereof 1986-09-10 CN claimed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed