SCHEMBL7159692

SCHEMBL7159692

Cc1ccc(Cc2cncnc2N2CCCC(=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7163194 0.91 TP53 (0.34) KITTP53SMN1; SMN2MEN1KMT2A
SCHEMBL7160676 0.88 MAPK1 (0.39) PKMMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL7159488 0.88 PDE3B (0.35) KIT
SCHEMBL7159916 0.86 PIK3CA (0.39) KITPKMMAPK1TP53SMN1; SMN2
SCHEMBL7164341 0.85 PDE2A (0.34) KITPKMMAPK1TP53LMNA
SCHEMBL5202765 0.81 DHFR (0.38)
SCHEMBL7164355 0.81 PDE3B (0.34) KITHTTMEN1KMT2ACYP1A2
SCHEMBL7458908 0.79 RPS6KB1 (0.42) KITTP53MAPTMEN1KMT2A
SCHEMBL7163401 0.77 ALDH1A1 (0.42) MAPK1SMN1; SMN2LMNAHTTMEN1
SCHEMBL7160558 0.77 PIK3CA (0.42) KITTP53LMNAMEN1KMT2A

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
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed