SCHEMBL20042755

SCHEMBL20042755

Cc1ccc(C(=O)N2Cc3nc(C)nc(N4CCC4)c3C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
PDE10A Q9Y233 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PDE2A O00408 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GBA1 P04062 3/20 0.37
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL20042760 0.86 P2RX7 (0.45) MEN1KMT2AP2RX7GBA1ABL1
SCHEMBL20042776 0.86 P2RX7 (0.41) LMNAMEN1KMT2AP2RX7TSHR
SCHEMBL20042817 0.86 PKM (0.44) ALDH1A1LMNAMEN1KMT2AP2RX7
SCHEMBL20042832 0.86 CFTR (0.45) ALDH1A1LMNAMEN1KMT2AP2RX7
SCHEMBL20042872 0.84 P2RX7 (0.44) LMNAP2RX7SMN1; SMN2GBA1HSD17B10
SCHEMBL20042751 0.84 HSD17B10 (0.49) ALDH1A1LMNAMEN1KMT2AP2RX7
SCHEMBL20042685 0.84 HTT (0.42) GRM5P2RX7SMN1; SMN2GBA1ABL1
SCHEMBL20042839 0.84 P2RX7 (0.45) ALDH1A1MEN1KMT2AP2RX7TSHR
SCHEMBL20042743 0.84 P2RX7 (0.40) P2RX7TSHRSMN1; SMN2GBA1HPGD
SCHEMBL20042756 0.83 P2RX7 (0.38) ALDH1A1LMNAMEN1KMT2AP2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed